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

Systemtic Name: 6,7-dimethoxy-2-[(4-phenylmethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: 2-[(4-benzyloxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: 6,7-dimethoxy-2-[(4-phenylmethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: 6,7-dimethoxy-2-[(4-phenylmethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: 2-(4-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=C(C=C3)OCC4=CC=CC=C4)OC

Isomeric SMILES

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

InChI

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