4-[(6-methoxy-2,2-dimethyl-7-oxidanyl-3,4-dihydro-1H-isoquinolin-2-ium-1-yl)methyl]phenolate

Systemtic Name: 4-[(6-methoxy-2,2-dimethyl-7-oxidanyl-3,4-dihydro-1H-isoquinolin-2-ium-1-yl)methyl]phenolate Openeye Name: 4-[(7-hydroxy-6-methoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-1-yl)methyl]phenolate CAS Name: 4-[(7-hydroxy-6-methoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-1-yl)methyl]phenolate IUPAC Name: 4-[(7-hydroxy-6-methoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-1-yl)methyl]phenolate Traditional Name: 4-[(7-hydroxy-6-methoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-1-yl)methyl]phenolate Formula: C19H23NO3 MolecularWeight: 313.39082

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)[O-])O)OC)C

Isomeric SMILES

C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)[O-])O)OC)C

InChI

InChI=1S/C19H23NO3/c1-20(2)9-8-14-11-19(23-3)18(22)12-16(14)17(20)10-13-4-6-15(21)7-5-13/h4-7,11-12,17H,8-10H2,1-3H3,(H-,21,22)