methyl 2-[(1R)-1-[(4-hydroxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]ethanoate

Systemtic Name: methyl 2-[(1R)-1-[(4-hydroxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]ethanoate Openeye Name: methyl 2-[(1R)-1-[(4-hydroxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]acetate CAS Name: 2-[(1R)-1-[(4-hydroxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]acetic acid methyl ester IUPAC Name: methyl 2-[(1R)-1-[(4-hydroxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]acetate Traditional Name: 2-[(1R)-1-(4-hydroxybenzyl)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]acetic acid methyl ester Formula: C22H28NO5+ MolecularWeight: 386.46142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[N+]1(CCC2=CC(=C(C=C2[C@H]1CC3=CC=C(C=C3)O)OC)OC)CC(=O)OC

InChI

InChI=1S/C22H27NO5/c1-23(14-22(25)28-4)10-9-16-12-20(26-2)21(27-3)13-18(16)19(23)11-15-5-7-17(24)8-6-15/h5-8,12-13,19H,9-11,14H2,1-4H3/p+1/t19-,23?/m1/s1