3-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]phenol

Systemtic Name: 3-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]phenol Openeye Name: 3-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]phenol CAS Name: 3-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]phenol IUPAC Name: 3-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]phenol Traditional Name: 3-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]phenol Formula: C18H22NO3+ MolecularWeight: 300.37218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO3/c1-21-17-9-14-6-7-19(12-15(14)10-18(17)22-2)11-13-4-3-5-16(20)8-13/h3-5,8-10,20H,6-7,11-12H2,1-2H3/p+1