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

Systemtic Name: 3-(1H-indol-3-yl)-1-[4-[(S)-(4-methylphenyl)-phenyl-methyl]piperazin-4-ium-1-yl]propan-1-one Openeye Name: 3-(1H-indol-3-yl)-1-[4-[(S)-phenyl(p-tolyl)methyl]piperazin-4-ium-1-yl]propan-1-one CAS Name: 3-(1H-indol-3-yl)-1-[4-[(S)-(4-methylphenyl)-phenylmethyl]-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 3-(1H-indol-3-yl)-1-[4-[(S)-(4-methylphenyl)-phenylmethyl]piperazin-4-ium-1-yl]propan-1-one Traditional Name: 3-(1H-indol-3-yl)-1-[4-[(S)-phenyl(p-tolyl)methyl]piperazin-4-ium-1-yl]propan-1-one Formula: C29H32N3O+ MolecularWeight: 438.58388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=CC=C2)[NH+]3CCN(CC3)C(=O)CCC4=CNC5=CC=CC=C54

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C2=CC=CC=C2)[NH+]3CCN(CC3)C(=O)CCC4=CNC5=CC=CC=C54

InChI

InChI=1S/C29H31N3O/c1-22-11-13-24(14-12-22)29(23-7-3-2-4-8-23)32-19-17-31(18-20-32)28(33)16-15-25-21-30-27-10-6-5-9-26(25)27/h2-14,21,29-30H,15-20H2,1H3/p+1/t29-/m0/s1