[(S)-(3-cyanophenyl)-phosphonato-methyl]-[2-(2-methylphenyl)ethyl]azanium

Systemtic Name: [(S)-(3-cyanophenyl)-phosphonato-methyl]-[2-(2-methylphenyl)ethyl]azanium Openeye Name: [(S)-(3-cyanophenyl)-phosphonato-methyl]-[2-(o-tolyl)ethyl]ammonium CAS Name: [(S)-(3-cyanophenyl)-phosphonatomethyl]-[2-(2-methylphenyl)ethyl]ammonium IUPAC Name: [(S)-(3-cyanophenyl)-phosphonatomethyl]-[2-(2-methylphenyl)ethyl]azanium Traditional Name: [(S)-(3-cyanophenyl)-phosphonato-methyl]-[2-(o-tolyl)ethyl]ammonium Formula: C17H18N2O3P- MolecularWeight: 329.310181

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC[NH2+]C(C2=CC=CC(=C2)C#N)P(=O)([O-])[O-]

Isomeric SMILES

CC1=CC=CC=C1CC[NH2+][C@H](C2=CC=CC(=C2)C#N)P(=O)([O-])[O-]

InChI

InChI=1S/C17H19N2O3P/c1-13-5-2-3-7-15(13)9-10-19-17(23(20,21)22)16-8-4-6-14(11-16)12-18/h2-8,11,17,19H,9-10H2,1H3,(H2,20,21,22)/p-1/t17-/m0/s1