4-[3-[(Z)-4-[3-(3-cyanopropyl)-5-methyl-benzimidazol-1-ium-1-yl]but-2-enyl]-6-methyl-benzimidazol-3-ium-1-yl]butanenitrile

Systemtic Name: 4-[3-[(Z)-4-[3-(3-cyanopropyl)-5-methyl-benzimidazol-1-ium-1-yl]but-2-enyl]-6-methyl-benzimidazol-3-ium-1-yl]butanenitrile Openeye Name: 4-[3-[(Z)-4-[3-(3-cyanopropyl)-5-methyl-benzimidazol-1-ium-1-yl]but-2-enyl]-6-methyl-benzimidazol-3-ium-1-yl]butanenitrile CAS Name: 4-[3-[(Z)-4-[3-(3-cyanopropyl)-5-methyl-1-benzimidazol-1-iumyl]but-2-enyl]-6-methyl-1-benzimidazol-3-iumyl]butanenitrile IUPAC Name: 4-[3-[(Z)-4-[3-(3-cyanopropyl)-5-methylbenzimidazol-1-ium-1-yl]but-2-enyl]-6-methylbenzimidazol-3-ium-1-yl]butanenitrile Traditional Name: 4-[3-[(Z)-4-[3-(3-cyanopropyl)-5-methyl-benzimidazol-1-ium-1-yl]but-2-enyl]-6-methyl-benzimidazol-3-ium-1-yl]butyronitrile Formula: C28H32N6+2 MolecularWeight: 452.59388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)[N+](=CN2CCCC#N)CC=CC[N+]3=CN(C4=C3C=CC(=C4)C)CCCC#N

Isomeric SMILES

CC1=CC2=C(C=C1)[N+](=CN2CCCC#N)C/C=C\C[N+]3=CN(C4=C3C=CC(=C4)C)CCCC#N

InChI

InChI=1S/C28H32N6/c1-23-9-11-25-27(19-23)33(15-5-3-13-29)21-31(25)17-7-8-18-32-22-34(16-6-4-14-30)28-20-24(2)10-12-26(28)32/h7-12,19-22H,3-6,15-18H2,1-2H3/q+2/b8-7-