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

Systemtic Name: 4-bromanyl-2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]phenol Openeye Name: 4-bromo-2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]phenol CAS Name: 4-bromo-2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]phenol IUPAC Name: 4-bromo-2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]phenol Traditional Name: 4-bromo-2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]phenol Formula: C18H21BrNO3+ MolecularWeight: 379.26824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20BrNO3/c1-22-17-8-12-5-6-20(10-13(12)9-18(17)23-2)11-14-7-15(19)3-4-16(14)21/h3-4,7-9,21H,5-6,10-11H2,1-2H3/p+1