(phenylmethyl)-[(S)-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)-phosphonato-methyl]azanium

Systemtic Name: (phenylmethyl)-[(S)-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)-phosphonato-methyl]azanium Openeye Name: benzyl-[(S)-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]-phosphonato-methyl]ammonium CAS Name: (phenylmethyl)-[(S)-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)-phosphonatomethyl]ammonium IUPAC Name: benzyl-[(S)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-phosphonatomethyl]azanium Traditional Name: benzyl-[(S)-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]-phosphonato-methyl]ammonium Formula: C21H19N3O3PS- MolecularWeight: 424.432621

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[NH2+]C(C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)P(=O)([O-])[O-]

Isomeric SMILES

C1=CC=C(C=C1)C[NH2+][C@H](C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)P(=O)([O-])[O-]

InChI

InChI=1S/C21H20N3O3PS/c25-28(26,27)21(22-14-16-8-3-1-4-9-16)18-15-24(17-10-5-2-6-11-17)23-20(18)19-12-7-13-29-19/h1-13,15,21-22H,14H2,(H2,25,26,27)/p-1/t21-/m0/s1