(4-methylphenyl)methyl N-methyl-3-oxidanylidene-pyrazolidin-1-ium-1-carboximidothioate chloride

Systemtic Name: (4-methylphenyl)methyl N-methyl-3-oxidanylidene-pyrazolidin-1-ium-1-carboximidothioate chloride Openeye Name: p-tolylmethyl N-methyl-3-oxo-pyrazolidin-1-ium-1-carboximidothioate chloride CAS Name: N-methyl-3-oxo-1-pyrazolidin-1-iumcarboximidothioic acid (4-methylphenyl)methyl ester chloride IUPAC Name: (4-methylphenyl)methyl N-methyl-3-oxopyrazolidin-1-ium-1-carboximidothioate chloride Traditional Name: 3-keto-N-methyl-pyrazolidin-1-ium-1-carboximidothioic acid (4-methylbenzyl) ester chloride Formula: C13H18ClN3OS MolecularWeight: 299.81952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC(=NC)[NH+]2CCC(=O)N2.[Cl-]

Isomeric SMILES

CC1=CC=C(C=C1)CSC(=NC)[NH+]2CCC(=O)N2.[Cl-]

InChI

InChI=1S/C13H17N3OS.ClH/c1-10-3-5-11(6-4-10)9-18-13(14-2)16-8-7-12(17)15-16;/h3-6H,7-9H2,1-2H3,(H,15,17);1H