(1R,2S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-2-oxidanidyl-3,4-dihydro-1H-isoquinolin-2-ium

Systemtic Name: (1R,2S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-2-oxidanidyl-3,4-dihydro-1H-isoquinolin-2-ium Openeye Name: (1R,2S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-2-oxido-3,4-dihydro-1H-isoquinolin-2-ium CAS Name: (1R,2S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-2-oxido-3,4-dihydro-1H-isoquinolin-2-ium IUPAC Name: (1R,2S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-2-oxido-3,4-dihydro-1H-isoquinolin-2-ium Traditional Name: (1R,2S)-6,7-dimethoxy-2-methyl-2-oxido-1-veratryl-3,4-dihydro-1H-isoquinolin-2-ium Formula: C21H27NO5 MolecularWeight: 373.44278

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC)[O-]

Isomeric SMILES

C[N@@+]1(CCC2=CC(=C(C=C2[C@H]1CC3=CC(=C(C=C3)OC)OC)OC)OC)[O-]

InChI

InChI=1S/C21H27NO5/c1-22(23)9-8-15-12-20(26-4)21(27-5)13-16(15)17(22)10-14-6-7-18(24-2)19(11-14)25-3/h6-7,11-13,17H,8-10H2,1-5H3/t17-,22+/m1/s1