1-azanyl-3-[(1-methylpyridin-1-ium-3-yl)amino]urea; 4-methylbenzenesulfonate

Systemtic Name: 1-azanyl-3-[(1-methylpyridin-1-ium-3-yl)amino]urea; 4-methylbenzenesulfonate Openeye Name: 1-amino-3-[(1-methylpyridin-1-ium-3-yl)amino]urea; 4-methylbenzenesulfonate CAS Name: 1-amino-3-[(1-methyl-3-pyridin-1-iumyl)amino]urea; 4-methylbenzenesulfonate IUPAC Name: 1-amino-3-[(1-methylpyridin-1-ium-3-yl)amino]urea; 4-methylbenzenesulfonate Traditional Name: 1-amino-3-[(1-methylpyridin-1-ium-3-yl)amino]urea tosylate Formula: C14H19N5O4S MolecularWeight: 353.39676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=CC(=C1)NNC(=O)NN

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=CC(=C1)NNC(=O)NN

InChI

InChI=1S/C7H11N5O.C7H8O3S/c1-12-4-2-3-6(5-12)10-11-7(13)9-8;1-6-2-4-7(5-3-6)11(8,9)10/h2-5,10H,8H2,1H3,(H-,9,11,13);2-5H,1H3,(H,8,9,10)