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

Systemtic Name: 4-ethyl-2-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]-5-thiophen-2-yl-1,2,4-triazole-3-thione Openeye Name: 2-[(4-benzylpiperidin-1-ium-1-yl)methyl]-4-ethyl-5-(2-thienyl)-1,2,4-triazole-3-thione CAS Name: 4-ethyl-2-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]-5-thiophen-2-yl-1,2,4-triazole-3-thione IUPAC Name: 2-[(4-benzylpiperidin-1-ium-1-yl)methyl]-4-ethyl-5-thiophen-2-yl-1,2,4-triazole-3-thione Traditional Name: 2-[(4-benzylpiperidin-1-ium-1-yl)methyl]-4-ethyl-5-(2-thienyl)-1,2,4-triazole-3-thione Formula: C21H27N4S2+ MolecularWeight: 399.59588

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)C[NH+]2CCC(CC2)CC3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

CCN1C(=NN(C1=S)C[NH+]2CCC(CC2)CC3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C21H26N4S2/c1-2-24-20(19-9-6-14-27-19)22-25(21(24)26)16-23-12-10-18(11-13-23)15-17-7-4-3-5-8-17/h3-9,14,18H,2,10-13,15-16H2,1H3/p+1