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

Systemtic Name: [(2S)-1-[(3,4-dimethoxyphenyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]azanium Openeye Name: [(1S)-1-benzyl-2-(3,4-dimethoxyanilino)-2-oxo-ethyl]ammonium CAS Name: [(2S)-1-(3,4-dimethoxyanilino)-1-oxo-3-phenylpropan-2-yl]ammonium IUPAC Name: [(2S)-1-(3,4-dimethoxyanilino)-1-oxo-3-phenylpropan-2-yl]azanium Traditional Name: [(1S)-1-benzyl-2-(3,4-dimethoxyanilino)-2-keto-ethyl]ammonium Formula: C17H21N2O3+ MolecularWeight: 301.36024

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C(CC2=CC=CC=C2)[NH3+])OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)[C@H](CC2=CC=CC=C2)[NH3+])OC

InChI

InChI=1S/C17H20N2O3/c1-21-15-9-8-13(11-16(15)22-2)19-17(20)14(18)10-12-6-4-3-5-7-12/h3-9,11,14H,10,18H2,1-2H3,(H,19,20)/p+1/t14-/m0/s1