[(2S)-1-[[4-(4-methylpiperidin-1-yl)phenyl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]azanium

Systemtic Name: [(2S)-1-[[4-(4-methylpiperidin-1-yl)phenyl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]azanium Openeye Name: [(1S)-1-benzyl-2-[4-(4-methyl-1-piperidyl)anilino]-2-oxo-ethyl]ammonium CAS Name: [(2S)-1-[4-(4-methyl-1-piperidinyl)anilino]-1-oxo-3-phenylpropan-2-yl]ammonium IUPAC Name: [(2S)-1-[4-(4-methylpiperidin-1-yl)anilino]-1-oxo-3-phenylpropan-2-yl]azanium Traditional Name: [(1S)-1-benzyl-2-keto-2-[4-(4-methylpiperidino)anilino]ethyl]ammonium Formula: C21H28N3O+ MolecularWeight: 338.46652

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=CC=C(C=C2)NC(=O)C(CC3=CC=CC=C3)[NH3+]

Isomeric SMILES

CC1CCN(CC1)C2=CC=C(C=C2)NC(=O)[C@H](CC3=CC=CC=C3)[NH3+]

InChI

InChI=1S/C21H27N3O/c1-16-11-13-24(14-12-16)19-9-7-18(8-10-19)23-21(25)20(22)15-17-5-3-2-4-6-17/h2-10,16,20H,11-15,22H2,1H3,(H,23,25)/p+1/t20-/m0/s1