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

Systemtic Name: 4-[(6-methoxy-7-oxidanyl-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl)methyl]benzene-1,2-diol Openeye Name: 4-[(7-hydroxy-6-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl)methyl]benzene-1,2-diol CAS Name: 4-[(7-hydroxy-6-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl)methyl]benzene-1,2-diol IUPAC Name: 4-[(7-hydroxy-6-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl)methyl]benzene-1,2-diol Traditional Name: 4-[(7-hydroxy-6-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl)methyl]pyrocatechol Formula: C17H20NO4+ MolecularWeight: 302.345

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C([NH2+]CCC2=C1)CC3=CC(=C(C=C3)O)O)O

Isomeric SMILES

COC1=C(C=C2C([NH2+]CCC2=C1)CC3=CC(=C(C=C3)O)O)O

InChI

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