2-azaniumyl-2-(phenylmethyl)-4-phosphono-butanoate

Systemtic Name: 2-azaniumyl-2-(phenylmethyl)-4-phosphono-butanoate Openeye Name: 2-azaniumyl-2-benzyl-4-phosphono-butanoate CAS Name: 2-ammonio-2-(phenylmethyl)-4-phosphonobutanoate IUPAC Name: 2-azaniumyl-2-benzyl-4-phosphonobutanoate Traditional Name: 2-ammonio-2-benzyl-4-phosphono-butyrate Formula: C11H16NO5P MolecularWeight: 273.222201

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CCP(=O)(O)O)(C(=O)[O-])[NH3+]

Isomeric SMILES

C1=CC=C(C=C1)CC(CCP(=O)(O)O)(C(=O)[O-])[NH3+]

InChI

InChI=1S/C11H16NO5P/c12-11(10(13)14,6-7-18(15,16)17)8-9-4-2-1-3-5-9/h1-5H,6-8,12H2,(H,13,14)(H2,15,16,17)