azanium N-[(3S)-3-(methylcarbamoyl)-2-(4-oxidanyl-4-oxidanylidene-butanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfamate

Systemtic Name: azanium N-[(3S)-3-(methylcarbamoyl)-2-(4-oxidanyl-4-oxidanylidene-butanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfamate Openeye Name: ammonium N-[(3S)-2-(4-hydroxy-4-oxo-butanoyl)-3-(methylcarbamoyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfamate CAS Name: ammonium N-[(3S)-2-(4-hydroxy-1,4-dioxobutyl)-3-(methylcarbamoyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfamate IUPAC Name: azanium N-[(3S)-2-(4-hydroxy-4-oxobutanoyl)-3-(methylcarbamoyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfamate Traditional Name: ammonium N-[(3S)-2-(4-hydroxy-4-keto-butanoyl)-3-(methylcarbamoyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfamate Formula: C15H22N4O7S MolecularWeight: 402.42278

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CC2=C(CN1C(=O)CCC(=O)O)C=C(C=C2)NS(=O)(=O)[O-].[NH4+]

Isomeric SMILES

CNC(=O)[C@@H]1CC2=C(CN1C(=O)CCC(=O)O)C=C(C=C2)NS(=O)(=O)[O-].[NH4+]

InChI

InChI=1S/C15H19N3O7S.H3N/c1-16-15(22)12-7-9-2-3-11(17-26(23,24)25)6-10(9)8-18(12)13(19)4-5-14(20)21;/h2-3,6,12,17H,4-5,7-8H2,1H3,(H,16,22)(H,20,21)(H,23,24,25);1H3/t12-;/m0./s1