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

Systemtic Name: (4-ethoxy-3-methoxy-phenyl)methyl-methyl-[(2S)-1-oxidanylidene-1-[(2-phenylphenyl)amino]propan-2-yl]azanium Openeye Name: (4-ethoxy-3-methoxy-phenyl)methyl-methyl-[(1S)-1-methyl-2-oxo-2-(2-phenylanilino)ethyl]ammonium CAS Name: (4-ethoxy-3-methoxyphenyl)methyl-methyl-[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl]ammonium IUPAC Name: (4-ethoxy-3-methoxyphenyl)methyl-methyl-[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl]azanium Traditional Name: (4-ethoxy-3-methoxy-benzyl)-[(1S)-2-keto-1-methyl-2-(2-phenylanilino)ethyl]-methyl-ammonium Formula: C26H31N2O3+ MolecularWeight: 419.53594

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C[NH+](C)C(C)C(=O)NC2=CC=CC=C2C3=CC=CC=C3)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C[NH+](C)[C@@H](C)C(=O)NC2=CC=CC=C2C3=CC=CC=C3)OC

InChI

InChI=1S/C26H30N2O3/c1-5-31-24-16-15-20(17-25(24)30-4)18-28(3)19(2)26(29)27-23-14-10-9-13-22(23)21-11-7-6-8-12-21/h6-17,19H,5,18H2,1-4H3,(H,27,29)/p+1/t19-/m0/s1