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

Systemtic Name: [(2S)-1-[(3-chloranyl-4-methyl-phenyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]azanium Openeye Name: [(1S)-1-benzyl-2-(3-chloro-4-methyl-anilino)-2-oxo-ethyl]ammonium CAS Name: [(2S)-1-(3-chloro-4-methylanilino)-1-oxo-3-phenylpropan-2-yl]ammonium IUPAC Name: [(2S)-1-(3-chloro-4-methylanilino)-1-oxo-3-phenylpropan-2-yl]azanium Traditional Name: [(1S)-1-benzyl-2-(3-chloro-4-methyl-anilino)-2-keto-ethyl]ammonium Formula: C16H18ClN2O+ MolecularWeight: 289.77992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(CC2=CC=CC=C2)[NH3+])Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@H](CC2=CC=CC=C2)[NH3+])Cl

InChI

InChI=1S/C16H17ClN2O/c1-11-7-8-13(10-14(11)17)19-16(20)15(18)9-12-5-3-2-4-6-12/h2-8,10,15H,9,18H2,1H3,(H,19,20)/p+1/t15-/m0/s1