(4E)-4-[(Z)-3-[2-(1-hexadecyl-3-methyl-benzimidazol-3-ium-2-yl)-1-methyl-pyridin-1-ium-4-yl]prop-2-enylidene]-1-methyl-quinoline

Systemtic Name: (4E)-4-[(Z)-3-[2-(1-hexadecyl-3-methyl-benzimidazol-3-ium-2-yl)-1-methyl-pyridin-1-ium-4-yl]prop-2-enylidene]-1-methyl-quinoline Openeye Name: (4E)-4-[(Z)-3-[2-(1-hexadecyl-3-methyl-benzimidazol-3-ium-2-yl)-1-methyl-pyridin-1-ium-4-yl]prop-2-enylidene]-1-methyl-quinoline CAS Name: (4E)-4-[(Z)-3-[2-(1-hexadecyl-3-methyl-2-benzimidazol-3-iumyl)-1-methyl-4-pyridin-1-iumyl]prop-2-enylidene]-1-methylquinoline IUPAC Name: (4E)-4-[(Z)-3-[2-(1-hexadecyl-3-methylbenzimidazol-3-ium-2-yl)-1-methylpyridin-1-ium-4-yl]prop-2-enylidene]-1-methylquinoline Traditional Name: (4E)-4-[(Z)-3-[2-(1-cetyl-3-methyl-benzimidazol-3-ium-2-yl)-1-methyl-pyridin-1-ium-4-yl]prop-2-enylidene]-1-methyl-quinoline Formula: C43H58N4+2 MolecularWeight: 630.94742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1C2=CC=CC=C2[N+](=C1C3=[N+](C=CC(=C3)C=CC=C4C=CN(C5=CC=CC=C45)C)C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCN1C2=CC=CC=C2[N+](=C1C3=[N+](C=CC(=C3)/C=C\C=C\4/C=CN(C5=CC=CC=C45)C)C)C

InChI

InChI=1S/C43H58N4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-22-32-47-41-29-21-20-28-40(41)46(4)43(47)42-35-36(30-33-45(42)3)24-23-25-37-31-34-44(2)39-27-19-18-26-38(37)39/h18-21,23-31,33-35H,5-17,22,32H2,1-4H3/q+2