4-(1H-indol-3-yl)-N-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethyl]butanamide

Systemtic Name: 4-(1H-indol-3-yl)-N-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethyl]butanamide Openeye Name: 4-(1H-indol-3-yl)-N-[2-[4-(m-tolyl)piperazin-1-ium-1-yl]ethyl]butanamide CAS Name: 4-(1H-indol-3-yl)-N-[2-[4-(3-methylphenyl)-1-piperazin-1-iumyl]ethyl]butanamide IUPAC Name: 4-(1H-indol-3-yl)-N-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethyl]butanamide Traditional Name: 4-(1H-indol-3-yl)-N-[2-[4-(m-tolyl)piperazin-1-ium-1-yl]ethyl]butyramide Formula: C25H33N4O+ MolecularWeight: 405.55572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CC[NH+](CC2)CCNC(=O)CCCC3=CNC4=CC=CC=C43

Isomeric SMILES

CC1=CC(=CC=C1)N2CC[NH+](CC2)CCNC(=O)CCCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C25H32N4O/c1-20-6-4-8-22(18-20)29-16-14-28(15-17-29)13-12-26-25(30)11-5-7-21-19-27-24-10-3-2-9-23(21)24/h2-4,6,8-10,18-19,27H,5,7,11-17H2,1H3,(H,26,30)/p+1