hydrogen sulfate; [(5-methyl-1,2-oxazol-3-yl)carbonylamino]-(phenylmethyl)azanium

Systemtic Name: hydrogen sulfate; [(5-methyl-1,2-oxazol-3-yl)carbonylamino]-(phenylmethyl)azanium Openeye Name: benzyl-[(5-methylisoxazole-3-carbonyl)amino]ammonium; hydrogen sulfate CAS Name: hydrogen sulfate; [[(5-methyl-3-isoxazolyl)-oxomethyl]amino]-(phenylmethyl)ammonium IUPAC Name: benzyl-[(5-methyl-1,2-oxazole-3-carbonyl)amino]azanium; hydrogen sulfate Traditional Name: benzyl-[(5-methylisoxazole-3-carbonyl)amino]ammonium bisulfate Formula: C12H15N3O6S MolecularWeight: 329.329

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C(=O)N[NH2+]CC2=CC=CC=C2.OS(=O)(=O)[O-]

Isomeric SMILES

CC1=CC(=NO1)C(=O)N[NH2+]CC2=CC=CC=C2.OS(=O)(=O)[O-]

InChI

InChI=1S/C12H13N3O2.H2O4S/c1-9-7-11(15-17-9)12(16)14-13-8-10-5-3-2-4-6-10;1-5(2,3)4/h2-7,13H,8H2,1H3,(H,14,16);(H2,1,2,3,4)