5-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]-1,3,4-thiadiazole-2-thiolate

Systemtic Name: 5-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]-1,3,4-thiadiazole-2-thiolate Openeye Name: 5-[(1-benzylpiperidin-1-ium-4-yl)amino]-1,3,4-thiadiazole-2-thiolate CAS Name: 5-[[1-(phenylmethyl)-4-piperidin-1-iumyl]amino]-1,3,4-thiadiazole-2-thiolate IUPAC Name: 5-[(1-benzylpiperidin-1-ium-4-yl)amino]-1,3,4-thiadiazole-2-thiolate Traditional Name: 5-[(1-benzylpiperidin-1-ium-4-yl)amino]-1,3,4-thiadiazole-2-thiolate Formula: C14H18N4S2 MolecularWeight: 306.44952

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC2=NN=C(S2)[S-])CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1NC2=NN=C(S2)[S-])CC3=CC=CC=C3

InChI

InChI=1S/C14H18N4S2/c19-14-17-16-13(20-14)15-12-6-8-18(9-7-12)10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,15,16)(H,17,19)