6-azanyl-2,3,4,5-tetrahydropyridine-5-thiol; 4-methylbenzenesulfonate

Systemtic Name: 6-azanyl-2,3,4,5-tetrahydropyridine-5-thiol; 4-methylbenzenesulfonate Openeye Name: 6-amino-2,3,4,5-tetrahydropyridine-5-thiol; 4-methylbenzenesulfonate CAS Name: 6-amino-2,3,4,5-tetrahydropyridine-5-thiol; 4-methylbenzenesulfonate IUPAC Name: 6-amino-2,3,4,5-tetrahydropyridine-5-thiol; 4-methylbenzenesulfonate Traditional Name: 6-amino-2,3,4,5-tetrahydropyridine-5-thiol tosylate Formula: C12H17N2O3S2- MolecularWeight: 301.40498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1CC(C(=NC1)N)S

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1CC(C(=NC1)N)S

InChI

InChI=1S/C7H8O3S.C5H10N2S/c1-6-2-4-7(5-3-6)11(8,9)10;6-5-4(8)2-1-3-7-5/h2-5H,1H3,(H,8,9,10);4,8H,1-3H2,(H2,6,7)/p-1