(2R)-2-(2,3-dihydro-1H-isoindol-2-ium-2-yl)-4-methyl-pentanoate

Systemtic Name: (2R)-2-(2,3-dihydro-1H-isoindol-2-ium-2-yl)-4-methyl-pentanoate Openeye Name: (2R)-2-isoindolin-2-ium-2-yl-4-methyl-pentanoate CAS Name: (2R)-2-(2,3-dihydro-1H-isoindol-2-ium-2-yl)-4-methylpentanoate IUPAC Name: (2R)-2-(2,3-dihydro-1H-isoindol-2-ium-2-yl)-4-methylpentanoate Traditional Name: (2R)-2-isoindolin-2-ium-2-yl-4-methyl-valerate Formula: C14H19NO2 MolecularWeight: 233.30616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)[O-])[NH+]1CC2=CC=CC=C2C1

Isomeric SMILES

CC(C)C[C@H](C(=O)[O-])[NH+]1CC2=CC=CC=C2C1

InChI

InChI=1S/C14H19NO2/c1-10(2)7-13(14(16)17)15-8-11-5-3-4-6-12(11)9-15/h3-6,10,13H,7-9H2,1-2H3,(H,16,17)/t13-/m1/s1