5-[(2-methylphenyl)amino]-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-thione

Systemtic Name: 5-[(2-methylphenyl)amino]-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-thione Openeye Name: 5-(2-methylanilino)-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-thione CAS Name: 5-(2-methylanilino)-3-[(4-methyl-1-piperidin-1-iumyl)methyl]-1,3,4-thiadiazole-2-thione IUPAC Name: 5-(2-methylanilino)-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-thione Traditional Name: 3-[(4-methylpiperidin-1-ium-1-yl)methyl]-5-(o-toluidino)-1,3,4-thiadiazole-2-thione Formula: C16H23N4S2+ MolecularWeight: 335.51062

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CN2C(=S)SC(=N2)NC3=CC=CC=C3C

Isomeric SMILES

CC1CC[NH+](CC1)CN2C(=S)SC(=N2)NC3=CC=CC=C3C

InChI

InChI=1S/C16H22N4S2/c1-12-7-9-19(10-8-12)11-20-16(21)22-15(18-20)17-14-6-4-3-5-13(14)2/h3-6,12H,7-11H2,1-2H3,(H,17,18)/p+1