1-[4-[4-(1H-indol-4-yl)piperazin-1-yl]cyclohexyl]-1-methyl-indol-1-ium-5-carbonitrile

Systemtic Name: 1-[4-[4-(1H-indol-4-yl)piperazin-1-yl]cyclohexyl]-1-methyl-indol-1-ium-5-carbonitrile Openeye Name: 1-[4-[4-(1H-indol-4-yl)piperazin-1-yl]cyclohexyl]-1-methyl-indol-1-ium-5-carbonitrile CAS Name: 1-[4-[4-(1H-indol-4-yl)-1-piperazinyl]cyclohexyl]-1-methyl-5-indol-1-iumcarbonitrile IUPAC Name: 1-[4-[4-(1H-indol-4-yl)piperazin-1-yl]cyclohexyl]-1-methylindol-1-ium-5-carbonitrile Traditional Name: 1-[4-[4-(1H-indol-4-yl)piperazino]cyclohexyl]-1-methyl-indol-1-ium-5-carbonitrile Formula: C28H32N5+ MolecularWeight: 438.58718

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C=CC2=C1C=CC(=C2)C#N)C3CCC(CC3)N4CCN(CC4)C5=CC=CC6=C5C=CN6

Isomeric SMILES

C[N+]1(C=CC2=C1C=CC(=C2)C#N)C3CCC(CC3)N4CCN(CC4)C5=CC=CC6=C5C=CN6

InChI

InChI=1S/C28H32N5/c1-33(18-12-22-19-21(20-29)5-10-28(22)33)24-8-6-23(7-9-24)31-14-16-32(17-15-31)27-4-2-3-26-25(27)11-13-30-26/h2-5,10-13,18-19,23-24,30H,6-9,14-17H2,1H3/q+1