N1-butyl-N4-(3-methylbenzimidazol-3-ium-1-yl)benzene-1,4-dicarboxamide

Systemtic Name: N1-butyl-N4-(3-methylbenzimidazol-3-ium-1-yl)benzene-1,4-dicarboxamide Openeye Name: N1-butyl-N4-(3-methylbenzimidazol-3-ium-1-yl)terephthalamide CAS Name: N1-butyl-N4-(3-methyl-1-benzimidazol-3-iumyl)benzene-1,4-dicarboxamide IUPAC Name: 1-N-butyl-4-N-(3-methylbenzimidazol-3-ium-1-yl)benzene-1,4-dicarboxamide Traditional Name: N-butyl-N'-(3-methylbenzimidazol-3-ium-1-yl)terephthalamide Formula: C20H23N4O2+ MolecularWeight: 351.42222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC=C(C=C1)C(=O)NN2C=[N+](C3=CC=CC=C32)C

Isomeric SMILES

CCCCNC(=O)C1=CC=C(C=C1)C(=O)NN2C=[N+](C3=CC=CC=C32)C

InChI

InChI=1S/C20H22N4O2/c1-3-4-13-21-19(25)15-9-11-16(12-10-15)20(26)22-24-14-23(2)17-7-5-6-8-18(17)24/h5-12,14H,3-4,13H2,1-2H3,(H-,21,22,25,26)/p+1