(1R,2R)-1-[(4-hydroxyphenyl)methyl]-7-methoxy-2-methyl-2-oxidanidyl-3,4-dihydro-1H-isoquinolin-2-ium-8-ol

Systemtic Name: (1R,2R)-1-[(4-hydroxyphenyl)methyl]-7-methoxy-2-methyl-2-oxidanidyl-3,4-dihydro-1H-isoquinolin-2-ium-8-ol Openeye Name: (1R,2R)-1-[(4-hydroxyphenyl)methyl]-7-methoxy-2-methyl-2-oxido-3,4-dihydro-1H-isoquinolin-2-ium-8-ol CAS Name: (1R,2R)-1-[(4-hydroxyphenyl)methyl]-7-methoxy-2-methyl-2-oxido-3,4-dihydro-1H-isoquinolin-2-ium-8-ol IUPAC Name: (1R,2R)-1-[(4-hydroxyphenyl)methyl]-7-methoxy-2-methyl-2-oxido-3,4-dihydro-1H-isoquinolin-2-ium-8-ol Traditional Name: (1R,2R)-1-(4-hydroxybenzyl)-7-methoxy-2-methyl-2-oxido-3,4-dihydro-1H-isoquinolin-2-ium-8-ol Formula: C18H21NO4 MolecularWeight: 315.36364

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC2=C(C1CC3=CC=C(C=C3)O)C(=C(C=C2)OC)O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO4/c1-19(22)10-9-13-5-8-16(23-2)18(21)17(13)15(19)11-12-3-6-14(20)7-4-12/h3-8,15,20-21H,9-11H2,1-2H3/t15-,19-/m1/s1