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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O2/c1-5-11(2)14(16(20)21)18-15-13-9-7-6-8-12(13)10-17(3,4)19-15/h6-9,11,14H,5,10H2,1-4H3,(H,18,19)(H,20,21)/t11-,14+/m0/s1