(1S)-1-(3,4-dimethoxyphenyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: (1S)-1-(3,4-dimethoxyphenyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: (1S)-1-(3,4-dimethoxyphenyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: (1S)-1-(3,4-dimethoxyphenyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: (1S)-1-(3,4-dimethoxyphenyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: (1S)-1-(3,4-dimethoxyphenyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C21H28NO4+ MolecularWeight: 358.45132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C([NH2+]CCC2=C1)C3=CC(=C(C=C3)OC)OC)OCC

Isomeric SMILES

CCOC1=C(C=C2[C@@H]([NH2+]CCC2=C1)C3=CC(=C(C=C3)OC)OC)OCC

InChI

InChI=1S/C21H27NO4/c1-5-25-19-11-14-9-10-22-21(16(14)13-20(19)26-6-2)15-7-8-17(23-3)18(12-15)24-4/h7-8,11-13,21-22H,5-6,9-10H2,1-4H3/p+1/t21-/m0/s1