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

Systemtic Name: 4-cyclopropyl-2-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]-5-pyridin-3-yl-1,2,4-triazole-3-thione Openeye Name: 2-[(4-benzylpiperidin-1-ium-1-yl)methyl]-4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-cyclopropyl-2-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]-5-(3-pyridinyl)-1,2,4-triazole-3-thione IUPAC Name: 2-[(4-benzylpiperidin-1-ium-1-yl)methyl]-4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazole-3-thione Traditional Name: 2-[(4-benzylpiperidin-1-ium-1-yl)methyl]-4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazole-3-thione Formula: C23H28N5S+ MolecularWeight: 406.56692

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN(C2=S)C[NH+]3CCC(CC3)CC4=CC=CC=C4)C5=CN=CC=C5

Isomeric SMILES

C1CC1N2C(=NN(C2=S)C[NH+]3CCC(CC3)CC4=CC=CC=C4)C5=CN=CC=C5

InChI

InChI=1S/C23H27N5S/c29-23-27(25-22(28(23)21-8-9-21)20-7-4-12-24-16-20)17-26-13-10-19(11-14-26)15-18-5-2-1-3-6-18/h1-7,12,16,19,21H,8-11,13-15,17H2/p+1