N-[(2R)-3-methyl-1-oxidanyl-butan-2-yl]-2-piperidin-1-ium-1-yl-1,3-dihydroindene-2-carboxamide

Systemtic Name: N-[(2R)-3-methyl-1-oxidanyl-butan-2-yl]-2-piperidin-1-ium-1-yl-1,3-dihydroindene-2-carboxamide Openeye Name: N-[(1R)-1-(hydroxymethyl)-2-methyl-propyl]-2-piperidin-1-ium-1-yl-indane-2-carboxamide CAS Name: N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2-(1-piperidin-1-iumyl)-1,3-dihydroindene-2-carboxamide IUPAC Name: N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2-piperidin-1-ium-1-yl-1,3-dihydroindene-2-carboxamide Traditional Name: N-[(1R)-2-methyl-1-methylol-propyl]-2-piperidin-1-ium-1-yl-indane-2-carboxamide Formula: C20H31N2O2+ MolecularWeight: 331.47234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CO)NC(=O)C1(CC2=CC=CC=C2C1)[NH+]3CCCCC3

Isomeric SMILES

CC(C)[C@H](CO)NC(=O)C1(CC2=CC=CC=C2C1)[NH+]3CCCCC3

InChI

InChI=1S/C20H30N2O2/c1-15(2)18(14-23)21-19(24)20(22-10-6-3-7-11-22)12-16-8-4-5-9-17(16)13-20/h4-5,8-9,15,18,23H,3,6-7,10-14H2,1-2H3,(H,21,24)/p+1/t18-/m0/s1