(3S)-2-(3-morpholin-4-ium-4-ylpropyl)-3-oxidanyl-3-(phenylmethyl)isoindol-1-one

Systemtic Name: (3S)-2-(3-morpholin-4-ium-4-ylpropyl)-3-oxidanyl-3-(phenylmethyl)isoindol-1-one Openeye Name: (3S)-3-benzyl-3-hydroxy-2-(3-morpholin-4-ium-4-ylpropyl)isoindolin-1-one CAS Name: (3S)-3-hydroxy-2-[3-(4-morpholin-4-iumyl)propyl]-3-(phenylmethyl)-1-isoindolone IUPAC Name: (3S)-3-benzyl-3-hydroxy-2-(3-morpholin-4-ium-4-ylpropyl)isoindol-1-one Traditional Name: (3S)-3-benzyl-3-hydroxy-2-(3-morpholin-4-ium-4-ylpropyl)isoindolin-1-one Formula: C22H27N2O3+ MolecularWeight: 367.46138

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCN2C(=O)C3=CC=CC=C3C2(CC4=CC=CC=C4)O

Isomeric SMILES

C1COCC[NH+]1CCCN2C(=O)C3=CC=CC=C3[C@]2(CC4=CC=CC=C4)O

InChI

InChI=1S/C22H26N2O3/c25-21-19-9-4-5-10-20(19)22(26,17-18-7-2-1-3-8-18)24(21)12-6-11-23-13-15-27-16-14-23/h1-5,7-10,26H,6,11-17H2/p+1/t22-/m0/s1