1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-phenethylpiperidin-1-ium-1-yl)ethanone

Systemtic Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-phenethylpiperidin-1-ium-1-yl)ethanone Openeye Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-phenethylpiperidin-1-ium-1-yl)ethanone CAS Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-phenethyl-1-piperidin-1-iumyl)ethanone IUPAC Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-phenethylpiperidin-1-ium-1-yl)ethanone Traditional Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-phenethylpiperidin-1-ium-1-yl)ethanone Formula: C26H35N2O3+ MolecularWeight: 423.5677

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)C[NH+]3CCC(CC3)CCC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)C[NH+]3CCC(CC3)CCC4=CC=CC=C4)OC

InChI

InChI=1S/C26H34N2O3/c1-30-24-16-22-12-15-28(18-23(22)17-25(24)31-2)26(29)19-27-13-10-21(11-14-27)9-8-20-6-4-3-5-7-20/h3-7,16-17,21H,8-15,18-19H2,1-2H3/p+1