[(S)-(4-cyanophenyl)-phosphonato-methyl]-[(2-methylphenyl)methyl]azanium

Systemtic Name: [(S)-(4-cyanophenyl)-phosphonato-methyl]-[(2-methylphenyl)methyl]azanium Openeye Name: [(S)-(4-cyanophenyl)-phosphonato-methyl]-(o-tolylmethyl)ammonium CAS Name: [(S)-(4-cyanophenyl)-phosphonatomethyl]-[(2-methylphenyl)methyl]ammonium IUPAC Name: [(S)-(4-cyanophenyl)-phosphonatomethyl]-[(2-methylphenyl)methyl]azanium Traditional Name: [(S)-(4-cyanophenyl)-phosphonato-methyl]-(2-methylbenzyl)ammonium Formula: C16H16N2O3P- MolecularWeight: 315.283601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH2+]C(C2=CC=C(C=C2)C#N)P(=O)([O-])[O-]

Isomeric SMILES

CC1=CC=CC=C1C[NH2+][C@H](C2=CC=C(C=C2)C#N)P(=O)([O-])[O-]

InChI

InChI=1S/C16H17N2O3P/c1-12-4-2-3-5-15(12)11-18-16(22(19,20)21)14-8-6-13(10-17)7-9-14/h2-9,16,18H,11H2,1H3,(H2,19,20,21)/p-1/t16-/m0/s1