2-azanylidene-1-methyl-piperidine-3-thiol; 4-methylbenzenesulfonate

Systemtic Name: 2-azanylidene-1-methyl-piperidine-3-thiol; 4-methylbenzenesulfonate Openeye Name: 2-imino-1-methyl-piperidine-3-thiol; 4-methylbenzenesulfonate CAS Name: 2-imino-1-methyl-3-piperidinethiol; 4-methylbenzenesulfonate IUPAC Name: 2-imino-1-methylpiperidine-3-thiol; 4-methylbenzenesulfonate Traditional Name: 2-imino-1-methyl-piperidine-3-thiol tosylate Formula: C13H19N2O3S2- MolecularWeight: 315.43156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CN1CCCC(C1=N)S

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CN1CCCC(C1=N)S

InChI

InChI=1S/C7H8O3S.C6H12N2S/c1-6-2-4-7(5-3-6)11(8,9)10;1-8-4-2-3-5(9)6(8)7/h2-5H,1H3,(H,8,9,10);5,7,9H,2-4H2,1H3/p-1