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

Systemtic Name: methyl-(1-methylpiperidin-1-ium-4-yl)-[(4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Openeye Name: methyl-(1-methylpiperidin-1-ium-4-yl)-[(4-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]ammonium CAS Name: methyl-(1-methyl-4-piperidin-1-iumyl)-[(4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]ammonium IUPAC Name: methyl-(1-methylpiperidin-1-ium-4-yl)-[(4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Traditional Name: methyl-(1-methylpiperidin-1-ium-4-yl)-[(4-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]ammonium Formula: C16H25N5S+2 MolecularWeight: 319.4682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N5S/c1-18-10-8-14(9-11-18)19(2)13-21-16(22)20(12-17-21)15-6-4-3-5-7-15/h3-7,12,14H,8-11,13H2,1-2H3/p+2