2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoquinolin-2-ium-2-yl]-1-piperidin-1-yl-ethanone chloride

Systemtic Name: 2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoquinolin-2-ium-2-yl]-1-piperidin-1-yl-ethanone chloride Openeye Name: 2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoquinolin-2-ium-2-yl]-1-(1-piperidyl)ethanone chloride CAS Name: 2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-isoquinolin-2-iumyl]-1-(1-piperidinyl)ethanone chloride IUPAC Name: 2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinolin-2-ium-2-yl]-1-piperidin-1-ylethanone chloride Traditional Name: 2-(6,7-dimethoxy-1-veratryl-isoquinolin-2-ium-2-yl)-1-piperidino-ethanone chloride Formula: C27H33ClN2O5 MolecularWeight: 501.01432

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=[N+](C=CC3=CC(=C(C=C32)OC)OC)CC(=O)N4CCCCC4)OC.[Cl-]

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=[N+](C=CC3=CC(=C(C=C32)OC)OC)CC(=O)N4CCCCC4)OC.[Cl-]

InChI

InChI=1S/C27H33N2O5.ClH/c1-31-23-9-8-19(15-24(23)32-2)14-22-21-17-26(34-4)25(33-3)16-20(21)10-13-29(22)18-27(30)28-11-6-5-7-12-28;/h8-10,13,15-17H,5-7,11-12,14,18H2,1-4H3;1H/q+1;/p-1