3-[1-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-(2-methylpropyl)-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[1-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-(2-methylpropyl)-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[4-isobutyl-1-[(4-methylpiperidin-1-ium-1-yl)methyl]-5-thioxo-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[1-[(4-methyl-1-piperidin-1-iumyl)methyl]-4-(2-methylpropyl)-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[1-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-(2-methylpropyl)-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[4-isobutyl-1-[(4-methylpiperidin-1-ium-1-yl)methyl]-5-thioxo-1,2,4-triazol-3-yl]propionamide Formula: C16H30N5OS+ MolecularWeight: 340.5073

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CN2C(=S)N(C(=N2)CCC(=O)N)CC(C)C

Isomeric SMILES

CC1CC[NH+](CC1)CN2C(=S)N(C(=N2)CCC(=O)N)CC(C)C

InChI

InChI=1S/C16H29N5OS/c1-12(2)10-20-15(5-4-14(17)22)18-21(16(20)23)11-19-8-6-13(3)7-9-19/h12-13H,4-11H2,1-3H3,(H2,17,22)/p+1