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

Systemtic Name: 4-(2-methoxyethyl)-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 4-(2-methoxyethyl)-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-(2-methoxyethyl)-2-[(4-methyl-1-piperidin-1-iumyl)methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 4-(2-methoxyethyl)-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 4-(2-methoxyethyl)-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C17H26N5OS+ MolecularWeight: 348.48624

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CN2C(=S)N(C(=N2)C3=CC=NC=C3)CCOC

Isomeric SMILES

CC1CC[NH+](CC1)CN2C(=S)N(C(=N2)C3=CC=NC=C3)CCOC

InChI

InChI=1S/C17H25N5OS/c1-14-5-9-20(10-6-14)13-22-17(24)21(11-12-23-2)16(19-22)15-3-7-18-8-4-15/h3-4,7-8,14H,5-6,9-13H2,1-2H3/p+1