1-methyl-2-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]indole-3-carbonitrile

Systemtic Name: 1-methyl-2-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]indole-3-carbonitrile Openeye Name: 1-methyl-2-[[4-(o-tolyl)piperazin-1-ium-1-yl]methyl]indole-3-carbonitrile CAS Name: 1-methyl-2-[[4-(2-methylphenyl)-1-piperazin-1-iumyl]methyl]-3-indolecarbonitrile IUPAC Name: 1-methyl-2-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]indole-3-carbonitrile Traditional Name: 1-methyl-2-[[4-(o-tolyl)piperazin-1-ium-1-yl]methyl]indole-3-carbonitrile Formula: C22H25N4+ MolecularWeight: 345.4607

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)CC3=C(C4=CC=CC=C4N3C)C#N

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CC3=C(C4=CC=CC=C4N3C)C#N

InChI

InChI=1S/C22H24N4/c1-17-7-3-5-9-20(17)26-13-11-25(12-14-26)16-22-19(15-23)18-8-4-6-10-21(18)24(22)2/h3-10H,11-14,16H2,1-2H3/p+1