dimethyl(phenyl)azanium; N-(3-oxidanylidenebutanoyl)sulfamate

Systemtic Name: dimethyl(phenyl)azanium; N-(3-oxidanylidenebutanoyl)sulfamate Openeye Name: dimethyl(phenyl)ammonium; N-(3-oxobutanoyl)sulfamate CAS Name: dimethyl(phenyl)ammonium; N-(1,3-dioxobutyl)sulfamate IUPAC Name: dimethyl(phenyl)azanium; N-(3-oxobutanoyl)sulfamate Traditional Name: N-acetoacetylsulfamate; dimethyl(phenyl)ammonium Formula: C12H18N2O5S MolecularWeight: 302.34672

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)NS(=O)(=O)[O-].C[NH+](C)C1=CC=CC=C1

Isomeric SMILES

CC(=O)CC(=O)NS(=O)(=O)[O-].C[NH+](C)C1=CC=CC=C1

InChI

InChI=1S/C8H11N.C4H7NO5S/c1-9(2)8-6-4-3-5-7-8;1-3(6)2-4(7)5-11(8,9)10/h3-7H,1-2H3;2H2,1H3,(H,5,7)(H,8,9,10)