(6S)-4-(1H-indol-3-ylmethyl)-6-methyl-1-(2-methylphenyl)piperazin-4-ium-2-one

Systemtic Name: (6S)-4-(1H-indol-3-ylmethyl)-6-methyl-1-(2-methylphenyl)piperazin-4-ium-2-one Openeye Name: (6S)-4-(1H-indol-3-ylmethyl)-6-methyl-1-(o-tolyl)piperazin-4-ium-2-one CAS Name: (6S)-4-(1H-indol-3-ylmethyl)-6-methyl-1-(2-methylphenyl)-2-piperazin-4-iumone IUPAC Name: (6S)-4-(1H-indol-3-ylmethyl)-6-methyl-1-(2-methylphenyl)piperazin-4-ium-2-one Traditional Name: (6S)-4-(1H-indol-3-ylmethyl)-6-methyl-1-(o-tolyl)piperazin-4-ium-2-one Formula: C21H24N3O+ MolecularWeight: 334.43476

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC(=O)N1C2=CC=CC=C2C)CC3=CNC4=CC=CC=C43

Isomeric SMILES

C[C@H]1C[NH+](CC(=O)N1C2=CC=CC=C2C)CC3=CNC4=CC=CC=C43

InChI

InChI=1S/C21H23N3O/c1-15-7-3-6-10-20(15)24-16(2)12-23(14-21(24)25)13-17-11-22-19-9-5-4-8-18(17)19/h3-11,16,22H,12-14H2,1-2H3/p+1/t16-/m0/s1