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

Systemtic Name: methyl 1-[[5-[(4-ethylphenyl)amino]-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[[5-(4-ethylanilino)-2-thioxo-1,3,4-thiadiazol-3-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[5-(4-ethylanilino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[[5-(4-ethylanilino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[5-(4-ethylanilino)-2-thioxo-1,3,4-thiadiazol-3-yl]methyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C18H25N4O2S2+ MolecularWeight: 393.5467

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC2=NN(C(=S)S2)C[NH+]3CCC(CC3)C(=O)OC

Isomeric SMILES

CCC1=CC=C(C=C1)NC2=NN(C(=S)S2)C[NH+]3CCC(CC3)C(=O)OC

InChI

InChI=1S/C18H24N4O2S2/c1-3-13-4-6-15(7-5-13)19-17-20-22(18(25)26-17)12-21-10-8-14(9-11-21)16(23)24-2/h4-7,14H,3,8-12H2,1-2H3,(H,19,20)/p+1