5-bromanyl-7-methoxy-1-[(4-phenylmethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-8-ol

Systemtic Name: 5-bromanyl-7-methoxy-1-[(4-phenylmethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-8-ol Openeye Name: 1-[(4-benzyloxyphenyl)methyl]-5-bromo-7-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-8-ol CAS Name: 5-bromo-7-methoxy-1-[(4-phenylmethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-8-ol IUPAC Name: 5-bromo-7-methoxy-1-[(4-phenylmethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-8-ol Traditional Name: 1-(4-benzoxybenzyl)-5-bromo-7-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-8-ol Formula: C24H25BrNO3+ MolecularWeight: 455.3642

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2CC[NH2+]C(C2=C1O)CC3=CC=C(C=C3)OCC4=CC=CC=C4)Br

Isomeric SMILES

COC1=CC(=C2CC[NH2+]C(C2=C1O)CC3=CC=C(C=C3)OCC4=CC=CC=C4)Br

InChI

InChI=1S/C24H24BrNO3/c1-28-22-14-20(25)19-11-12-26-21(23(19)24(22)27)13-16-7-9-18(10-8-16)29-15-17-5-3-2-4-6-17/h2-10,14,21,26-27H,11-13,15H2,1H3/p+1