1-[(E)-[2-(1-methylpyridin-1-ium-2-yl)cyclohexylidene]amino]thiourea chloride

Systemtic Name: 1-[(E)-[2-(1-methylpyridin-1-ium-2-yl)cyclohexylidene]amino]thiourea chloride Openeye Name: [(E)-[2-(1-methylpyridin-1-ium-2-yl)cyclohexylidene]amino]thiourea chloride CAS Name: [(E)-[2-(1-methyl-2-pyridin-1-iumyl)cyclohexylidene]amino]thiourea chloride IUPAC Name: [(E)-[2-(1-methylpyridin-1-ium-2-yl)cyclohexylidene]amino]thiourea chloride Traditional Name: [(E)-[2-(1-methylpyridin-1-ium-2-yl)cyclohexylidene]amino]thiourea chloride Formula: C13H19ClN4S MolecularWeight: 298.83476

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1C2CCCCC2=NNC(=S)N.[Cl-]

Isomeric SMILES

C[N+]1=CC=CC=C1C\2CCCC/C2=N\NC(=S)N.[Cl-]

InChI

InChI=1S/C13H18N4S.ClH/c1-17-9-5-4-8-12(17)10-6-2-3-7-11(10)15-16-13(14)18;/h4-5,8-10H,2-3,6-7H2,1H3,(H2-,14,16,18);1H/b15-11+;