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

Systemtic Name: [(2S)-1-[(4-chloranyl-2,5-dimethoxy-phenyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]azanium Openeye Name: [(1S)-1-benzyl-2-(4-chloro-2,5-dimethoxy-anilino)-2-oxo-ethyl]ammonium CAS Name: [(2S)-1-(4-chloro-2,5-dimethoxyanilino)-1-oxo-3-phenylpropan-2-yl]ammonium IUPAC Name: [(2S)-1-(4-chloro-2,5-dimethoxyanilino)-1-oxo-3-phenylpropan-2-yl]azanium Traditional Name: [(1S)-1-benzyl-2-(4-chloro-2,5-dimethoxy-anilino)-2-keto-ethyl]ammonium Formula: C17H20ClN2O3+ MolecularWeight: 335.8053

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)C(CC2=CC=CC=C2)[NH3+])OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)[C@H](CC2=CC=CC=C2)[NH3+])OC)Cl

InChI

InChI=1S/C17H19ClN2O3/c1-22-15-10-14(16(23-2)9-12(15)18)20-17(21)13(19)8-11-6-4-3-5-7-11/h3-7,9-10,13H,8,19H2,1-2H3,(H,20,21)/p+1/t13-/m0/s1