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

Systemtic Name: 4-cyclopropyl-2-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 2-[(4-benzylpiperidin-1-ium-1-yl)methyl]-4-cyclopropyl-5-(2-thienylmethyl)-1,2,4-triazole-3-thione CAS Name: 4-cyclopropyl-2-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 2-[(4-benzylpiperidin-1-ium-1-yl)methyl]-4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 2-[(4-benzylpiperidin-1-ium-1-yl)methyl]-4-cyclopropyl-5-(2-thenyl)-1,2,4-triazole-3-thione Formula: C23H29N4S2+ MolecularWeight: 425.63316

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN(C2=S)C[NH+]3CCC(CC3)CC4=CC=CC=C4)CC5=CC=CS5

Isomeric SMILES

C1CC1N2C(=NN(C2=S)C[NH+]3CCC(CC3)CC4=CC=CC=C4)CC5=CC=CS5

InChI

InChI=1S/C23H28N4S2/c28-23-26(24-22(27(23)20-8-9-20)16-21-7-4-14-29-21)17-25-12-10-19(11-13-25)15-18-5-2-1-3-6-18/h1-7,14,19-20H,8-13,15-17H2/p+1