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

Systemtic Name: [(1S)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxidanylidene-1-phenyl-ethyl]azanium Openeye Name: [(1S)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxo-1-phenyl-ethyl]ammonium CAS Name: [(1S)-2-[4-(2,3-dimethylphenyl)-1-piperazinyl]-2-oxo-1-phenylethyl]ammonium IUPAC Name: [(1S)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]azanium Traditional Name: [(1S)-2-[4-(2,3-dimethylphenyl)piperazino]-2-keto-1-phenyl-ethyl]ammonium Formula: C20H26N3O+ MolecularWeight: 324.43994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O/c1-15-7-6-10-18(16(15)2)22-11-13-23(14-12-22)20(24)19(21)17-8-4-3-5-9-17/h3-10,19H,11-14,21H2,1-2H3/p+1/t19-/m0/s1