1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanone

Systemtic Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanone Openeye Name: 2-(4-benzylpiperidin-1-ium-1-yl)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone CAS Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(phenylmethyl)-1-piperidin-1-iumyl]ethanone IUPAC Name: 2-(4-benzylpiperidin-1-ium-1-yl)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Traditional Name: 2-(4-benzylpiperidin-1-ium-1-yl)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Formula: C25H33N2O3+ MolecularWeight: 409.54112

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)C[NH+]3CCC(CC3)CC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)C[NH+]3CCC(CC3)CC4=CC=CC=C4)OC

InChI

InChI=1S/C25H32N2O3/c1-29-23-15-21-10-13-27(17-22(21)16-24(23)30-2)25(28)18-26-11-8-20(9-12-26)14-19-6-4-3-5-7-19/h3-7,15-16,20H,8-14,17-18H2,1-2H3/p+1