carboxymethyl-methyl-(1-oxidanyl-1-oxidanylidene-propan-2-yl)-(phenylmethyl)azanium

Systemtic Name: carboxymethyl-methyl-(1-oxidanyl-1-oxidanylidene-propan-2-yl)-(phenylmethyl)azanium Openeye Name: benzyl-(carboxymethyl)-(2-hydroxy-1-methyl-2-oxo-ethyl)-methyl-ammonium CAS Name: carboxymethyl-(1-hydroxy-1-oxopropan-2-yl)-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-(carboxymethyl)-(1-hydroxy-1-oxopropan-2-yl)-methylazanium Traditional Name: benzyl-(carboxymethyl)-(2-hydroxy-2-keto-1-methyl-ethyl)-methyl-ammonium Formula: C13H18NO4+ MolecularWeight: 252.28632

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)[N+](C)(CC1=CC=CC=C1)CC(=O)O

Isomeric SMILES

CC(C(=O)O)[N+](C)(CC1=CC=CC=C1)CC(=O)O

InChI

InChI=1S/C13H17NO4/c1-10(13(17)18)14(2,9-12(15)16)8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H-,15,16,17,18)/p+1