6-[(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)azaniumyl]hexanoate

Systemtic Name: 6-[(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)azaniumyl]hexanoate Openeye Name: 6-[(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)ammonio]hexanoate CAS Name: 6-[(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)ammonio]hexanoate IUPAC Name: 6-[(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)azaniumyl]hexanoate Traditional Name: 6-[(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)ammonio]hexanoate Formula: C17H24N2O2 MolecularWeight: 288.38466

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C(=[NH+]CCCCCC(=O)[O-])N1)C

Isomeric SMILES

CC1(CC2=CC=CC=C2C(=[NH+]CCCCCC(=O)[O-])N1)C

InChI

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