4-[[(1S)-6-methoxy-2-methyl-7-oxidanyl-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]benzene-1,2-diol

Systemtic Name: 4-[[(1S)-6-methoxy-2-methyl-7-oxidanyl-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]benzene-1,2-diol Openeye Name: 4-[[(1S)-7-hydroxy-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]benzene-1,2-diol CAS Name: 4-[[(1S)-7-hydroxy-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]benzene-1,2-diol IUPAC Name: 4-[[(1S)-7-hydroxy-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]benzene-1,2-diol Traditional Name: 4-[[(1S)-7-hydroxy-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]pyrocatechol Formula: C18H22NO4+ MolecularWeight: 316.37158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO4/c1-19-6-5-12-9-18(23-2)17(22)10-13(12)14(19)7-11-3-4-15(20)16(21)8-11/h3-4,8-10,14,20-22H,5-7H2,1-2H3/p+1/t14-/m0/s1