3,4-dihydro-1H-isoquinolin-2-yl-[1-[(3,4-dimethoxyphenyl)methyl]pyridin-1-ium-4-yl]methanone chloride

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[(3,4-dimethoxyphenyl)methyl]pyridin-1-ium-4-yl]methanone chloride Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[(3,4-dimethoxyphenyl)methyl]pyridin-1-ium-4-yl]methanone chloride CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[(3,4-dimethoxyphenyl)methyl]-4-pyridin-1-iumyl]methanone chloride IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[(3,4-dimethoxyphenyl)methyl]pyridin-1-ium-4-yl]methanone chloride Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-(1-veratrylpyridin-1-ium-4-yl)methanone chloride Formula: C24H25ClN2O3 MolecularWeight: 424.9199

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[N+]2=CC=C(C=C2)C(=O)N3CCC4=CC=CC=C4C3)OC.[Cl-]

Isomeric SMILES

COC1=C(C=C(C=C1)C[N+]2=CC=C(C=C2)C(=O)N3CCC4=CC=CC=C4C3)OC.[Cl-]

InChI

InChI=1S/C24H25N2O3.ClH/c1-28-22-8-7-18(15-23(22)29-2)16-25-12-9-20(10-13-25)24(27)26-14-11-19-5-3-4-6-21(19)17-26;/h3-10,12-13,15H,11,14,16-17H2,1-2H3;1H/q+1;/p-1