[(2S)-1-[4-(3-methylphenyl)piperazin-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]azanium

Systemtic Name: [(2S)-1-[4-(3-methylphenyl)piperazin-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]azanium Openeye Name: [(1S)-1-benzyl-2-[4-(m-tolyl)piperazin-1-yl]-2-oxo-ethyl]ammonium CAS Name: [(2S)-1-[4-(3-methylphenyl)-1-piperazinyl]-1-oxo-3-phenylpropan-2-yl]ammonium IUPAC Name: [(2S)-1-[4-(3-methylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]azanium Traditional Name: [(1S)-1-benzyl-2-keto-2-[4-(m-tolyl)piperazino]ethyl]ammonium Formula: C20H26N3O+ MolecularWeight: 324.43994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)C(CC3=CC=CC=C3)[NH3+]

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)[C@H](CC3=CC=CC=C3)[NH3+]

InChI

InChI=1S/C20H25N3O/c1-16-6-5-9-18(14-16)22-10-12-23(13-11-22)20(24)19(21)15-17-7-3-2-4-8-17/h2-9,14,19H,10-13,15,21H2,1H3/p+1/t19-/m0/s1