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

Systemtic Name: 6-methoxy-1-[(3-methoxy-4-oxidanyl-phenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-7-ol Openeye Name: 1-[(4-hydroxy-3-methoxy-phenyl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-7-ol CAS Name: 1-[(4-hydroxy-3-methoxyphenyl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-7-ol IUPAC Name: 1-[(4-hydroxy-3-methoxyphenyl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-7-ol Traditional Name: 6-methoxy-1-vanillyl-1,2,3,4-tetrahydroisoquinolin-2-ium-7-ol Formula: C18H22NO4+ MolecularWeight: 316.37158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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