[(1R,2R)-1-(4-acetyloxyphenyl)-2-azanyl-2-(4-methoxycarbonylphenyl)ethyl]azanium

Systemtic Name: [(1R,2R)-1-(4-acetyloxyphenyl)-2-azanyl-2-(4-methoxycarbonylphenyl)ethyl]azanium Openeye Name: [(1R,2R)-1-(4-acetoxyphenyl)-2-amino-2-(4-methoxycarbonylphenyl)ethyl]ammonium CAS Name: [(1R,2R)-1-(4-acetyloxyphenyl)-2-amino-2-(4-methoxycarbonylphenyl)ethyl]ammonium IUPAC Name: [(1R,2R)-1-(4-acetyloxyphenyl)-2-amino-2-(4-methoxycarbonylphenyl)ethyl]azanium Traditional Name: [(1R,2R)-1-(4-acetoxyphenyl)-2-amino-2-(4-carbomethoxyphenyl)ethyl]ammonium Formula: C18H21N2O4+ MolecularWeight: 329.37034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)C(C(C2=CC=C(C=C2)C(=O)OC)N)[NH3+]

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)[C@H]([C@@H](C2=CC=C(C=C2)C(=O)OC)N)[NH3+]

InChI

InChI=1S/C18H20N2O4/c1-11(21)24-15-9-7-13(8-10-15)17(20)16(19)12-3-5-14(6-4-12)18(22)23-2/h3-10,16-17H,19-20H2,1-2H3/p+1/t16-,17-/m1/s1