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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N5S/c1-2-13-27-22(21-9-6-12-24-17-21)25-28(23(27)29)18-26-14-10-20(11-15-26)16-19-7-4-3-5-8-19/h2-9,12,17,20H,1,10-11,13-16,18H2/p+1