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

Systemtic Name: 2-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]-4-propyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 2-[(4-benzylpiperidin-1-ium-1-yl)methyl]-4-propyl-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]-4-propyl-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 2-[(4-benzylpiperidin-1-ium-1-yl)methyl]-4-propyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 2-[(4-benzylpiperidin-1-ium-1-yl)methyl]-4-propyl-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C23H30N5S+ MolecularWeight: 408.5828

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN(C1=S)C[NH+]2CCC(CC2)CC3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

CCCN1C(=NN(C1=S)C[NH+]2CCC(CC2)CC3=CC=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C23H29N5S/c1-2-14-27-22(21-8-12-24-13-9-21)25-28(23(27)29)18-26-15-10-20(11-16-26)17-19-6-4-3-5-7-19/h3-9,12-13,20H,2,10-11,14-18H2,1H3/p+1