(2R)-2-[(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)azaniumyl]-4-methyl-pentanoate

Systemtic Name: (2R)-2-[(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)azaniumyl]-4-methyl-pentanoate Openeye Name: (2R)-2-[(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)ammonio]-4-methyl-pentanoate CAS Name: (2R)-2-[(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)ammonio]-4-methylpentanoate IUPAC Name: (2R)-2-[(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)azaniumyl]-4-methylpentanoate Traditional Name: (2R)-2-[(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)ammonio]-4-methyl-valerate Formula: C17H24N2O2 MolecularWeight: 288.38466

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)[O-])[NH+]=C1C2=CC=CC=C2CC(N1)(C)C

Isomeric SMILES

CC(C)C[C@H](C(=O)[O-])[NH+]=C1C2=CC=CC=C2CC(N1)(C)C

InChI

InChI=1S/C17H24N2O2/c1-11(2)9-14(16(20)21)18-15-13-8-6-5-7-12(13)10-17(3,4)19-15/h5-8,11,14H,9-10H2,1-4H3,(H,18,19)(H,20,21)/t14-/m1/s1