2-(3,4-dimethoxyphenyl)ethyl-[(1S)-2-(methylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl]azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[(1S)-2-(methylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenyl-ethyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]azanium Traditional Name: homoveratryl-[(1S)-2-keto-2-(methylcarbamoylamino)-1-phenyl-ethyl]ammonium Formula: C20H26N3O4+ MolecularWeight: 372.43814

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NC(=O)C(C1=CC=CC=C1)[NH2+]CCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CNC(=O)NC(=O)[C@H](C1=CC=CC=C1)[NH2+]CCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C20H25N3O4/c1-21-20(25)23-19(24)18(15-7-5-4-6-8-15)22-12-11-14-9-10-16(26-2)17(13-14)27-3/h4-10,13,18,22H,11-12H2,1-3H3,(H2,21,23,24,25)/p+1/t18-/m0/s1