7-methoxy-1-[(4-methoxy-3-oxidanyl-phenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-8-ol

Systemtic Name: 7-methoxy-1-[(4-methoxy-3-oxidanyl-phenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-8-ol Openeye Name: 1-[(3-hydroxy-4-methoxy-phenyl)methyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-8-ol CAS Name: 1-[(3-hydroxy-4-methoxyphenyl)methyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-8-ol IUPAC Name: 1-[(3-hydroxy-4-methoxyphenyl)methyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-8-ol Traditional Name: 1-(3-hydroxy-4-methoxy-benzyl)-7-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-8-ol Formula: C18H22NO4+ MolecularWeight: 316.37158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2C3=C(CC[NH2+]2)C=CC(=C3O)OC)O

Isomeric SMILES

COC1=C(C=C(C=C1)CC2C3=C(CC[NH2+]2)C=CC(=C3O)OC)O

InChI

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