3-[2-(4-azanylcyclohexyl)-1H-indol-3-yl]-3-(1-methylindol-3-yl)-2-oxidanylidene-1H-imidazol-3-ium-5-carbonitrile

Systemtic Name: 3-[2-(4-azanylcyclohexyl)-1H-indol-3-yl]-3-(1-methylindol-3-yl)-2-oxidanylidene-1H-imidazol-3-ium-5-carbonitrile Openeye Name: 3-[2-(4-aminocyclohexyl)-1H-indol-3-yl]-3-(1-methylindol-3-yl)-2-oxo-1H-imidazol-3-ium-5-carbonitrile CAS Name: 3-[2-(4-aminocyclohexyl)-1H-indol-3-yl]-3-(1-methyl-3-indolyl)-2-oxo-1H-imidazol-3-ium-5-carbonitrile IUPAC Name: 3-[2-(4-aminocyclohexyl)-1H-indol-3-yl]-3-(1-methylindol-3-yl)-2-oxo-1H-imidazol-3-ium-5-carbonitrile Traditional Name: 1-[2-(4-aminocyclohexyl)-1H-indol-3-yl]-2-keto-1-(1-methylindol-3-yl)-4-imidazolin-1-ium-4-carbonitrile Formula: C27H27N6O+ MolecularWeight: 451.54288

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)[N+]3(C=C(NC3=O)C#N)C4=C(NC5=CC=CC=C54)C6CCC(CC6)N

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)[N+]3(C=C(NC3=O)C#N)C4=C(NC5=CC=CC=C54)C6CCC(CC6)N

InChI

InChI=1S/C27H26N6O/c1-32-15-24(21-7-3-5-9-23(21)32)33(16-19(14-28)30-27(33)34)26-20-6-2-4-8-22(20)31-25(26)17-10-12-18(29)13-11-17/h2-9,15-18,31H,10-13,29H2,1H3/p+1