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

Systemtic Name: 6,7-dimethoxy-2-[(3-phenylmethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: 2-[(3-benzyloxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: 6,7-dimethoxy-2-[(3-phenylmethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: 6,7-dimethoxy-2-[(3-phenylmethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: 2-(3-benzoxybenzyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C25H28NO3+ MolecularWeight: 390.49472

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C[NH+](CCC2=C1)CC3=CC(=CC=C3)OCC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2C[NH+](CCC2=C1)CC3=CC(=CC=C3)OCC4=CC=CC=C4)OC

InChI

InChI=1S/C25H27NO3/c1-27-24-14-21-11-12-26(17-22(21)15-25(24)28-2)16-20-9-6-10-23(13-20)29-18-19-7-4-3-5-8-19/h3-10,13-15H,11-12,16-18H2,1-2H3/p+1