(2R)-2-(3H-isoindol-2-ium-1-ylamino)-4-methyl-pentanoate

Systemtic Name: (2R)-2-(3H-isoindol-2-ium-1-ylamino)-4-methyl-pentanoate Openeye Name: (2R)-2-(3H-isoindol-2-ium-1-ylamino)-4-methyl-pentanoate CAS Name: (2R)-2-(3H-isoindol-2-ium-1-ylamino)-4-methylpentanoate IUPAC Name: (2R)-2-(3H-isoindol-2-ium-1-ylamino)-4-methylpentanoate Traditional Name: (2R)-2-(3H-isoindol-2-ium-1-ylamino)-4-methyl-valerate Formula: C14H18N2O2 MolecularWeight: 246.30492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)[O-])NC1=[NH+]CC2=CC=CC=C21

Isomeric SMILES

CC(C)C[C@H](C(=O)[O-])NC1=[NH+]CC2=CC=CC=C21

InChI

InChI=1S/C14H18N2O2/c1-9(2)7-12(14(17)18)16-13-11-6-4-3-5-10(11)8-15-13/h3-6,9,12H,7-8H2,1-2H3,(H,15,16)(H,17,18)/t12-/m1/s1