methyl 1-[[5-[(3-methylphenyl)amino]-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[[5-[(3-methylphenyl)amino]-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[[5-(3-methylanilino)-2-thioxo-1,3,4-thiadiazol-3-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[5-(3-methylanilino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[[5-(3-methylanilino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[5-(m-toluidino)-2-thioxo-1,3,4-thiadiazol-3-yl]methyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C17H23N4O2S2+ MolecularWeight: 379.52012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NN(C(=S)S2)C[NH+]3CCC(CC3)C(=O)OC

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NN(C(=S)S2)C[NH+]3CCC(CC3)C(=O)OC

InChI

InChI=1S/C17H22N4O2S2/c1-12-4-3-5-14(10-12)18-16-19-21(17(24)25-16)11-20-8-6-13(7-9-20)15(22)23-2/h3-5,10,13H,6-9,11H2,1-2H3,(H,18,19)/p+1