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

Systemtic Name: [(2S)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]azanium Openeye Name: [(1S)-1-benzyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxo-ethyl]ammonium CAS Name: [(2S)-1-[4-(2,3-dimethylphenyl)-1-piperazinyl]-1-oxo-3-phenylpropan-2-yl]ammonium IUPAC Name: [(2S)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]azanium Traditional Name: [(1S)-1-benzyl-2-[4-(2,3-dimethylphenyl)piperazino]-2-keto-ethyl]ammonium Formula: C21H28N3O+ MolecularWeight: 338.46652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O/c1-16-7-6-10-20(17(16)2)23-11-13-24(14-12-23)21(25)19(22)15-18-8-4-3-5-9-18/h3-10,19H,11-15,22H2,1-2H3/p+1/t19-/m0/s1