N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-ium-1-yl]ethanamide Openeye Name: N-indan-5-yl-2-[4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-ium-1-yl]acetamide CAS Name: N-(2,3-dihydro-1H-inden-5-yl)-2-[4-[4-methyl-5-(methylthio)-1,2,4-triazol-3-yl]-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-ium-1-yl]acetamide Traditional Name: N-indan-5-yl-2-[4-[4-methyl-5-(methylthio)-1,2,4-triazol-3-yl]piperidin-1-ium-1-yl]acetamide Formula: C20H28N5OS+ MolecularWeight: 386.53422

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SC)C2CC[NH+](CC2)CC(=O)NC3=CC4=C(CCC4)C=C3

Isomeric SMILES

CN1C(=NN=C1SC)C2CC[NH+](CC2)CC(=O)NC3=CC4=C(CCC4)C=C3

InChI

InChI=1S/C20H27N5OS/c1-24-19(22-23-20(24)27-2)15-8-10-25(11-9-15)13-18(26)21-17-7-6-14-4-3-5-16(14)12-17/h6-7,12,15H,3-5,8-11,13H2,1-2H3,(H,21,26)/p+1