3-ethyl-4-[1-(phenylmethyl)piperidin-1-ium-4-yl]-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-ethyl-4-[1-(phenylmethyl)piperidin-1-ium-4-yl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-(1-benzylpiperidin-1-ium-4-yl)-3-ethyl-1H-1,2,4-triazole-5-thione CAS Name: 3-ethyl-4-[1-(phenylmethyl)-4-piperidin-1-iumyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(1-benzylpiperidin-1-ium-4-yl)-3-ethyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-(1-benzylpiperidin-1-ium-4-yl)-3-ethyl-1H-1,2,4-triazole-5-thione Formula: C16H23N4S+ MolecularWeight: 303.44562

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NNC(=S)N1C2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CCC1=NNC(=S)N1C2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C16H22N4S/c1-2-15-17-18-16(21)20(15)14-8-10-19(11-9-14)12-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3,(H,18,21)/p+1