CAS 1296211-78-3 4,4'-[1,2-Ethenediylbis(4,1-phenyleneiminocarbonyl)]bis(N-butyl-N,N-dimethylbenzenemethanaminium) Dichloride

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4,4'-[1,2-Ethenediylbis(4,1-phenyleneiminocarbonyl)]bis(N-butyl-N,N-dimethylbenzenemethanaminium) Dichloride

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Catalog Number

ACM1296211783

Product Name

4,4'-[1,2-Ethenediylbis(4,1-phenyleneiminocarbonyl)]bis(N-butyl-N,N-dimethylbenzenemethanaminium) Dichloride

CAS

1296211-78-3

Category

Nanotubes

IUPAC Name

butyl-[[4-[[4-[(E)-2-[4-[[4-[[butyl(dimethyl)azaniumyl]methyl]benzoyl]amino]phenyl]ethenyl]phenyl]carbamoyl]phenyl]methyl]-dimethylazanium;dichloride

Molecular Weight

717.8g/mol

Molecular Formula

C42H54Cl2N4O2

Canonical SMILES

CCCC[N+](C)(C)CC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C=CC3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)C[N+](C)(C)CCCC.[Cl-].[Cl-]

InChI

InChI=1S/C42H52N4O2.2ClH/c1-7-9-29-45(3,4)31-35-13-21-37(22-14-35)41(47)43-39-25-17-33(18-26-39)11-12-34-19-27-40(28-20-34)44-42(48)38-23-15-36(16-24-38)32-46(5,6)30-10-8-2;;/h11-28H,7-10,29-32H2,1-6H3;2*1H/b12-11+;;

InChI Key

BIMYMMDLQUWTSZ-YHPRVSEPSA-N

Complexity

898

Covalently-Bonded Unit Count

Exact Mass

716.362382g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

716.362382g/mol

Rotatable Bond Count