N-[(E)-2-[5-(1,3-benzothiazol-2-yl)-3-ethyl-1-phenyl-benzimidazol-3-ium-2-yl]ethenyl]-N-methyl-cyclohexen-1-amine

Systemtic Name: N-[(E)-2-[5-(1,3-benzothiazol-2-yl)-3-ethyl-1-phenyl-benzimidazol-3-ium-2-yl]ethenyl]-N-methyl-cyclohexen-1-amine Openeye Name: N-[(E)-2-[5-(1,3-benzothiazol-2-yl)-3-ethyl-1-phenyl-benzimidazol-3-ium-2-yl]vinyl]-N-methyl-cyclohexen-1-amine CAS Name: N-[(E)-2-[5-(1,3-benzothiazol-2-yl)-3-ethyl-1-phenyl-2-benzimidazol-3-iumyl]ethenyl]-N-methyl-1-cyclohexenamine IUPAC Name: N-[(E)-2-[5-(1,3-benzothiazol-2-yl)-3-ethyl-1-phenylbenzimidazol-3-ium-2-yl]ethenyl]-N-methylcyclohexen-1-amine Traditional Name: [(E)-2-[5-(1,3-benzothiazol-2-yl)-3-ethyl-1-phenyl-benzimidazol-3-ium-2-yl]vinyl]-(cyclohexen-1-yl)-methyl-amine Formula: C31H31N4S+ MolecularWeight: 491.66964

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(N(C2=C1C=C(C=C2)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5)C=CN(C)C6=CCCCC6

Isomeric SMILES

CC[N+]1=C(N(C2=C1C=C(C=C2)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5)/C=C/N(C)C6=CCCCC6

InChI

InChI=1S/C31H31N4S/c1-3-34-28-22-23(31-32-26-16-10-11-17-29(26)36-31)18-19-27(28)35(25-14-8-5-9-15-25)30(34)20-21-33(2)24-12-6-4-7-13-24/h5,8-12,14-22H,3-4,6-7,13H2,1-2H3/q+1