N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(4-ethyl-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-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-ium-1-yl]-N-indan-5-yl-acetamide CAS Name: N-(2,3-dihydro-1H-inden-5-yl)-2-[4-[4-ethyl-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-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-ium-1-yl]acetamide Traditional Name: 2-[4-[4-ethyl-5-(methylthio)-1,2,4-triazol-3-yl]piperidin-1-ium-1-yl]-N-indan-5-yl-acetamide Formula: C21H30N5OS+ MolecularWeight: 400.5608

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC)C2CC[NH+](CC2)CC(=O)NC3=CC4=C(CCC4)C=C3

Isomeric SMILES

CCN1C(=NN=C1SC)C2CC[NH+](CC2)CC(=O)NC3=CC4=C(CCC4)C=C3

InChI

InChI=1S/C21H29N5OS/c1-3-26-20(23-24-21(26)28-2)16-9-11-25(12-10-16)14-19(27)22-18-8-7-15-5-4-6-17(15)13-18/h7-8,13,16H,3-6,9-12,14H2,1-2H3,(H,22,27)/p+1