[(6-oxidanylidene-1H-pyridin-2-yl)-(sulfomethyl)amino]methylidene-dipropyl-azanium

Systemtic Name: [(6-oxidanylidene-1H-pyridin-2-yl)-(sulfomethyl)amino]methylidene-dipropyl-azanium Openeye Name: [(6-oxo-1H-pyridin-2-yl)-(sulfomethyl)amino]methylene-dipropyl-ammonium CAS Name: [(6-oxo-1H-pyridin-2-yl)-(sulfomethyl)amino]methylidene-dipropylammonium IUPAC Name: [(6-oxo-1H-pyridin-2-yl)-(sulfomethyl)amino]methylidene-dipropylazanium Traditional Name: [(6-keto-1H-pyridin-2-yl)-(sulfomethyl)amino]methylene-dipropyl-ammonium Formula: C13H22N3O4S+ MolecularWeight: 316.39648

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+](=CN(CS(=O)(=O)O)C1=CC=CC(=O)N1)CCC

Isomeric SMILES

CCC[N+](=CN(CS(=O)(=O)O)C1=CC=CC(=O)N1)CCC

InChI

InChI=1S/C13H21N3O4S/c1-3-8-15(9-4-2)10-16(11-21(18,19)20)12-6-5-7-13(17)14-12/h5-7,10H,3-4,8-9,11H2,1-2H3,(H-,14,17,18,19,20)/p+1