5-(methylamino)-3-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]-1,3,4-thiadiazole-2-thione

Systemtic Name: 5-(methylamino)-3-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]-1,3,4-thiadiazole-2-thione Openeye Name: 3-[(4-benzylpiperidin-1-ium-1-yl)methyl]-5-(methylamino)-1,3,4-thiadiazole-2-thione CAS Name: 5-(methylamino)-3-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]-1,3,4-thiadiazole-2-thione IUPAC Name: 3-[(4-benzylpiperidin-1-ium-1-yl)methyl]-5-(methylamino)-1,3,4-thiadiazole-2-thione Traditional Name: 3-[(4-benzylpiperidin-1-ium-1-yl)methyl]-5-(methylamino)-1,3,4-thiadiazole-2-thione Formula: C16H23N4S2+ MolecularWeight: 335.51062

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NN(C(=S)S1)C[NH+]2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

CNC1=NN(C(=S)S1)C[NH+]2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C16H22N4S2/c1-17-15-18-20(16(21)22-15)12-19-9-7-14(8-10-19)11-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3,(H,17,18)/p+1