4-[(Z)-2-[2-(1-hexadecyl-3-methyl-benzimidazol-3-ium-2-yl)-1-methyl-pyridin-1-ium-4-yl]ethenyl]-N,N-dimethyl-aniline

Systemtic Name: 4-[(Z)-2-[2-(1-hexadecyl-3-methyl-benzimidazol-3-ium-2-yl)-1-methyl-pyridin-1-ium-4-yl]ethenyl]-N,N-dimethyl-aniline Openeye Name: 4-[(Z)-2-[2-(1-hexadecyl-3-methyl-benzimidazol-3-ium-2-yl)-1-methyl-pyridin-1-ium-4-yl]vinyl]-N,N-dimethyl-aniline CAS Name: 4-[(Z)-2-[2-(1-hexadecyl-3-methyl-2-benzimidazol-3-iumyl)-1-methyl-4-pyridin-1-iumyl]ethenyl]-N,N-dimethylaniline IUPAC Name: 4-[(Z)-2-[2-(1-hexadecyl-3-methylbenzimidazol-3-ium-2-yl)-1-methylpyridin-1-ium-4-yl]ethenyl]-N,N-dimethylaniline Traditional Name: [4-[(Z)-2-[2-(1-cetyl-3-methyl-benzimidazol-3-ium-2-yl)-1-methyl-pyridin-1-ium-4-yl]vinyl]phenyl]-dimethyl-amine Formula: C40H58N4+2 MolecularWeight: 594.91532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1C2=CC=CC=C2[N+](=C1C3=[N+](C=CC(=C3)C=CC4=CC=C(C=C4)N(C)C)C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCN1C2=CC=CC=C2[N+](=C1C3=[N+](C=CC(=C3)/C=C\C4=CC=C(C=C4)N(C)C)C)C

InChI

InChI=1S/C40H58N4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-21-31-44-38-23-20-19-22-37(38)43(5)40(44)39-33-35(30-32-42(39)4)25-24-34-26-28-36(29-27-34)41(2)3/h19-20,22-30,32-33H,6-18,21,31H2,1-5H3/q+2