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

Systemtic Name: (1R)-6,7-dimethoxy-1-[(4-phenylmethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: (1R)-1-[(4-benzyloxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: (1R)-6,7-dimethoxy-1-[(4-phenylmethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: (1R)-6,7-dimethoxy-1-[(4-phenylmethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: (1R)-1-(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([NH2+]CCC2=C1)CC3=CC=C(C=C3)OCC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2[C@H]([NH2+]CCC2=C1)CC3=CC=C(C=C3)OCC4=CC=CC=C4)OC

InChI

InChI=1S/C25H27NO3/c1-27-24-15-20-12-13-26-23(22(20)16-25(24)28-2)14-18-8-10-21(11-9-18)29-17-19-6-4-3-5-7-19/h3-11,15-16,23,26H,12-14,17H2,1-2H3/p+1/t23-/m1/s1