(1R,2R)-1-[(4-hydroxyphenyl)methyl]-2-methyl-2-oxidanidyl-3,4-dihydro-1H-isoquinolin-2-ium-6,7-diol

Systemtic Name: (1R,2R)-1-[(4-hydroxyphenyl)methyl]-2-methyl-2-oxidanidyl-3,4-dihydro-1H-isoquinolin-2-ium-6,7-diol Openeye Name: (1R,2R)-1-[(4-hydroxyphenyl)methyl]-2-methyl-2-oxido-3,4-dihydro-1H-isoquinolin-2-ium-6,7-diol CAS Name: (1R,2R)-1-[(4-hydroxyphenyl)methyl]-2-methyl-2-oxido-3,4-dihydro-1H-isoquinolin-2-ium-6,7-diol IUPAC Name: (1R,2R)-1-[(4-hydroxyphenyl)methyl]-2-methyl-2-oxido-3,4-dihydro-1H-isoquinolin-2-ium-6,7-diol Traditional Name: (1R,2R)-1-(4-hydroxybenzyl)-2-methyl-2-oxido-3,4-dihydro-1H-isoquinolin-2-ium-6,7-diol Formula: C17H19NO4 MolecularWeight: 301.33706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19NO4/c1-18(22)7-6-12-9-16(20)17(21)10-14(12)15(18)8-11-2-4-13(19)5-3-11/h2-5,9-10,15,19-21H,6-8H2,1H3/t15-,18-/m1/s1