(1R)-1-[(4-hydroxyphenyl)methyl]-7-methoxy-6-oxidanyl-3,4-dihydro-2H-isoquinolin-2-ium-1-carboxylate

Systemtic Name: (1R)-1-[(4-hydroxyphenyl)methyl]-7-methoxy-6-oxidanyl-3,4-dihydro-2H-isoquinolin-2-ium-1-carboxylate Openeye Name: (1R)-6-hydroxy-1-[(4-hydroxyphenyl)methyl]-7-methoxy-3,4-dihydro-2H-isoquinolin-2-ium-1-carboxylate CAS Name: (1R)-6-hydroxy-1-[(4-hydroxyphenyl)methyl]-7-methoxy-3,4-dihydro-2H-isoquinolin-2-ium-1-carboxylate IUPAC Name: (1R)-6-hydroxy-1-[(4-hydroxyphenyl)methyl]-7-methoxy-3,4-dihydro-2H-isoquinolin-2-ium-1-carboxylate Traditional Name: (1R)-6-hydroxy-1-(4-hydroxybenzyl)-7-methoxy-3,4-dihydro-2H-isoquinolin-2-ium-1-carboxylate Formula: C18H19NO5 MolecularWeight: 329.34716

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CC[NH2+]C(C2=C1)(CC3=CC=C(C=C3)O)C(=O)[O-])O

Isomeric SMILES

COC1=C(C=C2CC[NH2+][C@@](C2=C1)(CC3=CC=C(C=C3)O)C(=O)[O-])O

InChI

InChI=1S/C18H19NO5/c1-24-16-9-14-12(8-15(16)21)6-7-19-18(14,17(22)23)10-11-2-4-13(20)5-3-11/h2-5,8-9,19-21H,6-7,10H2,1H3,(H,22,23)/t18-/m1/s1