3-(1H-indol-3-yl)-1-[(3S)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]propan-1-one

Systemtic Name: 3-(1H-indol-3-yl)-1-[(3S)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]propan-1-one Openeye Name: 3-(1H-indol-3-yl)-1-[(3S)-3-[4-(o-tolyl)piperazin-1-ium-1-yl]-1-piperidyl]propan-1-one CAS Name: 3-(1H-indol-3-yl)-1-[(3S)-3-[4-(2-methylphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]-1-propanone IUPAC Name: 3-(1H-indol-3-yl)-1-[(3S)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]propan-1-one Traditional Name: 3-(1H-indol-3-yl)-1-[(3S)-3-[4-(o-tolyl)piperazin-1-ium-1-yl]piperidino]propan-1-one Formula: C27H35N4O+ MolecularWeight: 431.593

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)C3CCCN(C3)C(=O)CCC4=CNC5=CC=CC=C54

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)[C@H]3CCCN(C3)C(=O)CCC4=CNC5=CC=CC=C54

InChI

InChI=1S/C27H34N4O/c1-21-7-2-5-11-26(21)30-17-15-29(16-18-30)23-8-6-14-31(20-23)27(32)13-12-22-19-28-25-10-4-3-9-24(22)25/h2-5,7,9-11,19,23,28H,6,8,12-18,20H2,1H3/p+1/t23-/m0/s1