2-piperidin-1-ium-1-yl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-dihydroindene-2-carboxamide

Systemtic Name: 2-piperidin-1-ium-1-yl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-dihydroindene-2-carboxamide Openeye Name: N-[(1R)-1-methyl-2-(1,2,4-triazol-1-yl)ethyl]-2-piperidin-1-ium-1-yl-indane-2-carboxamide CAS Name: 2-(1-piperidin-1-iumyl)-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-dihydroindene-2-carboxamide IUPAC Name: 2-piperidin-1-ium-1-yl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-dihydroindene-2-carboxamide Traditional Name: N-[(1R)-1-methyl-2-(1,2,4-triazol-1-yl)ethyl]-2-piperidin-1-ium-1-yl-indane-2-carboxamide Formula: C20H28N5O+ MolecularWeight: 354.46922

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=NC=N1)NC(=O)C2(CC3=CC=CC=C3C2)[NH+]4CCCCC4

Isomeric SMILES

C[C@H](CN1C=NC=N1)NC(=O)C2(CC3=CC=CC=C3C2)[NH+]4CCCCC4

InChI

InChI=1S/C20H27N5O/c1-16(13-25-15-21-14-22-25)23-19(26)20(24-9-5-2-6-10-24)11-17-7-3-4-8-18(17)12-20/h3-4,7-8,14-16H,2,5-6,9-13H2,1H3,(H,23,26)/p+1/t16-/m1/s1