(3S)-3-oxidanyl-3-(phenylmethyl)-2-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)isoindol-1-one

Systemtic Name: (3S)-3-oxidanyl-3-(phenylmethyl)-2-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)isoindol-1-one Openeye Name: (3S)-3-benzyl-3-hydroxy-2-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)isoindolin-1-one CAS Name: (3S)-3-hydroxy-3-(phenylmethyl)-2-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)-1-isoindolone IUPAC Name: (3S)-3-benzyl-3-hydroxy-2-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)isoindol-1-one Traditional Name: (3S)-3-benzyl-3-hydroxy-2-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)isoindolin-1-one Formula: C24H31N2O2+ MolecularWeight: 379.51514

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC([NH2+]1)(C)C)N2C(=O)C3=CC=CC=C3C2(CC4=CC=CC=C4)O)C

Isomeric SMILES

CC1(CC(CC([NH2+]1)(C)C)N2C(=O)C3=CC=CC=C3[C@]2(CC4=CC=CC=C4)O)C

InChI

InChI=1S/C24H30N2O2/c1-22(2)15-18(16-23(3,4)25-22)26-21(27)19-12-8-9-13-20(19)24(26,28)14-17-10-6-5-7-11-17/h5-13,18,25,28H,14-16H2,1-4H3/p+1/t24-/m0/s1