[(2S)-1-[(4-chloranyl-2-methoxy-5-methyl-phenyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]azanium

Systemtic Name: [(2S)-1-[(4-chloranyl-2-methoxy-5-methyl-phenyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]azanium Openeye Name: [(1S)-1-benzyl-2-(4-chloro-2-methoxy-5-methyl-anilino)-2-oxo-ethyl]ammonium CAS Name: [(2S)-1-(4-chloro-2-methoxy-5-methylanilino)-1-oxo-3-phenylpropan-2-yl]ammonium IUPAC Name: [(2S)-1-(4-chloro-2-methoxy-5-methylanilino)-1-oxo-3-phenylpropan-2-yl]azanium Traditional Name: [(1S)-1-benzyl-2-(4-chloro-2-methoxy-5-methyl-anilino)-2-keto-ethyl]ammonium Formula: C17H20ClN2O2+ MolecularWeight: 319.8059

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NC(=O)C(CC2=CC=CC=C2)[NH3+]

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC(=O)[C@H](CC2=CC=CC=C2)[NH3+]

InChI

InChI=1S/C17H19ClN2O2/c1-11-8-15(16(22-2)10-13(11)18)20-17(21)14(19)9-12-6-4-3-5-7-12/h3-8,10,14H,9,19H2,1-2H3,(H,20,21)/p+1/t14-/m0/s1