2-[[2-[(2-methylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl]-(phenylmethyl)azaniumyl]ethanoate

Systemtic Name: 2-[[2-[(2-methylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl]-(phenylmethyl)azaniumyl]ethanoate Openeye Name: 2-[benzyl-[2-[(2-methylpyrazol-3-yl)amino]-2-oxo-ethyl]ammonio]acetate CAS Name: 2-[[2-[(2-methyl-3-pyrazolyl)amino]-2-oxoethyl]-(phenylmethyl)ammonio]acetate IUPAC Name: 2-[benzyl-[2-[(2-methylpyrazol-3-yl)amino]-2-oxoethyl]azaniumyl]acetate Traditional Name: 2-[benzyl-[2-keto-2-[(2-methylpyrazol-3-yl)amino]ethyl]ammonio]acetate Formula: C15H18N4O3 MolecularWeight: 302.32842

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=N1)NC(=O)C[NH+](CC2=CC=CC=C2)CC(=O)[O-]

Isomeric SMILES

CN1C(=CC=N1)NC(=O)C[NH+](CC2=CC=CC=C2)CC(=O)[O-]

InChI

InChI=1S/C15H18N4O3/c1-18-13(7-8-16-18)17-14(20)10-19(11-15(21)22)9-12-5-3-2-4-6-12/h2-8H,9-11H2,1H3,(H,17,20)(H,21,22)