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

Systemtic Name: 4-(2-methoxyethyl)-2-[[methyl-(1-methylpiperidin-1-ium-4-yl)amino]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 4-(2-methoxyethyl)-2-[[methyl-(1-methylpiperidin-1-ium-4-yl)amino]methyl]-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-(2-methoxyethyl)-2-[[methyl-(1-methyl-4-piperidin-1-iumyl)amino]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 4-(2-methoxyethyl)-2-[[methyl-(1-methylpiperidin-1-ium-4-yl)amino]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 4-(2-methoxyethyl)-2-[[methyl-(1-methylpiperidin-1-ium-4-yl)amino]methyl]-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C18H29N6OS+ MolecularWeight: 377.52746

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N(C)CN2C(=S)N(C(=N2)C3=CC=NC=C3)CCOC

Isomeric SMILES

C[NH+]1CCC(CC1)N(C)CN2C(=S)N(C(=N2)C3=CC=NC=C3)CCOC

InChI

InChI=1S/C18H28N6OS/c1-21-10-6-16(7-11-21)22(2)14-24-18(26)23(12-13-25-3)17(20-24)15-4-8-19-9-5-15/h4-5,8-9,16H,6-7,10-14H2,1-3H3/p+1