1-[(4-methoxy-3-oxidanyl-phenyl)methyl]-2-methyl-3,4-dihydroisoquinolin-2-ium-6,7-diol

Systemtic Name: 1-[(4-methoxy-3-oxidanyl-phenyl)methyl]-2-methyl-3,4-dihydroisoquinolin-2-ium-6,7-diol Openeye Name: 1-[(3-hydroxy-4-methoxy-phenyl)methyl]-2-methyl-3,4-dihydroisoquinolin-2-ium-6,7-diol CAS Name: 1-[(3-hydroxy-4-methoxyphenyl)methyl]-2-methyl-3,4-dihydroisoquinolin-2-ium-6,7-diol IUPAC Name: 1-[(3-hydroxy-4-methoxyphenyl)methyl]-2-methyl-3,4-dihydroisoquinolin-2-ium-6,7-diol Traditional Name: 1-(3-hydroxy-4-methoxy-benzyl)-2-methyl-3,4-dihydroisoquinolin-2-ium-6,7-diol Formula: C18H20NO4+ MolecularWeight: 314.3557

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C2=CC(=C(C=C2CC1)O)O)CC3=CC(=C(C=C3)OC)O

Isomeric SMILES

C[N+]1=C(C2=CC(=C(C=C2CC1)O)O)CC3=CC(=C(C=C3)OC)O

InChI

InChI=1S/C18H19NO4/c1-19-6-5-12-9-15(20)16(21)10-13(12)14(19)7-11-3-4-18(23-2)17(22)8-11/h3-4,8-10,21-22H,5-7H2,1-2H3/p+1