[4-(2-methoxyethyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium

Systemtic Name: [4-(2-methoxyethyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium Openeye Name: [4-(2-methoxyethyl)-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium CAS Name: [4-(2-methoxyethyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-(1-methyl-4-piperidin-1-iumyl)ammonium IUPAC Name: [4-(2-methoxyethyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium Traditional Name: [4-(2-methoxyethyl)-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium Formula: C18H30N6OS+2 MolecularWeight: 378.5354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[NH+]1CCC(CC1)[NH+](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+2