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

Systemtic Name: [(1S)-2-azanyl-2-oxidanylidene-1-phenyl-ethyl]-[2-(3,4-dimethoxyphenyl)ethyl]azanium Openeye Name: [(1S)-2-amino-2-oxo-1-phenyl-ethyl]-[2-(3,4-dimethoxyphenyl)ethyl]ammonium CAS Name: [(1S)-2-amino-2-oxo-1-phenylethyl]-[2-(3,4-dimethoxyphenyl)ethyl]ammonium IUPAC Name: [(1S)-2-amino-2-oxo-1-phenylethyl]-[2-(3,4-dimethoxyphenyl)ethyl]azanium Traditional Name: [(1S)-2-amino-2-keto-1-phenyl-ethyl]-homoveratryl-ammonium Formula: C18H23N2O3+ MolecularWeight: 315.38682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC[NH2+]C(C2=CC=CC=C2)C(=O)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC[NH2+][C@@H](C2=CC=CC=C2)C(=O)N)OC

InChI

InChI=1S/C18H22N2O3/c1-22-15-9-8-13(12-16(15)23-2)10-11-20-17(18(19)21)14-6-4-3-5-7-14/h3-9,12,17,20H,10-11H2,1-2H3,(H2,19,21)/p+1/t17-/m0/s1