3-[(S)-(3-methylphenyl)-piperazin-4-ium-1-yl-methyl]-1H-indole

Systemtic Name: 3-[(S)-(3-methylphenyl)-piperazin-4-ium-1-yl-methyl]-1H-indole Openeye Name: 3-[(S)-m-tolyl(piperazin-4-ium-1-yl)methyl]-1H-indole CAS Name: 3-[(S)-(3-methylphenyl)-(1-piperazin-4-iumyl)methyl]-1H-indole IUPAC Name: 3-[(S)-(3-methylphenyl)-piperazin-4-ium-1-ylmethyl]-1H-indole Traditional Name: 3-[(S)-m-tolyl(piperazin-4-ium-1-yl)methyl]-1H-indole Formula: C20H24N3+ MolecularWeight: 306.42466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(C2=CNC3=CC=CC=C32)N4CC[NH2+]CC4

Isomeric SMILES

CC1=CC(=CC=C1)[C@@H](C2=CNC3=CC=CC=C32)N4CC[NH2+]CC4

InChI

InChI=1S/C20H23N3/c1-15-5-4-6-16(13-15)20(23-11-9-21-10-12-23)18-14-22-19-8-3-2-7-17(18)19/h2-8,13-14,20-22H,9-12H2,1H3/p+1/t20-/m0/s1