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

Systemtic Name: 4-(2-methoxyethyl)-2-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 2-[(4-benzylpiperidin-1-ium-1-yl)methyl]-4-(2-methoxyethyl)-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-(2-methoxyethyl)-2-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 2-[(4-benzylpiperidin-1-ium-1-yl)methyl]-4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 2-[(4-benzylpiperidin-1-ium-1-yl)methyl]-4-(2-methoxyethyl)-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C23H30N5OS+ MolecularWeight: 424.5822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=NN(C1=S)C[NH+]2CCC(CC2)CC3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

COCCN1C(=NN(C1=S)C[NH+]2CCC(CC2)CC3=CC=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C23H29N5OS/c1-29-16-15-27-22(21-7-11-24-12-8-21)25-28(23(27)30)18-26-13-9-20(10-14-26)17-19-5-3-2-4-6-19/h2-8,11-12,20H,9-10,13-18H2,1H3/p+1