6-[(6,7-dimethoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)azaniumyl]hexanoate

Systemtic Name: 6-[(6,7-dimethoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)azaniumyl]hexanoate Openeye Name: 6-[(6,7-dimethoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)ammonio]hexanoate CAS Name: 6-[(6,7-dimethoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)ammonio]hexanoate IUPAC Name: 6-[(6,7-dimethoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)azaniumyl]hexanoate Traditional Name: 6-[(6,7-dimethoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)ammonio]hexanoate Formula: C19H28N2O4 MolecularWeight: 348.43662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O4/c1-19(2)12-13-10-15(24-3)16(25-4)11-14(13)18(21-19)20-9-7-5-6-8-17(22)23/h10-11H,5-9,12H2,1-4H3,(H,20,21)(H,22,23)