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

Systemtic Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanone Openeye Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone CAS Name: 2-(4-benzoyl-1-piperazin-1-iumyl)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone IUPAC Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Traditional Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Formula: C24H30N3O4+ MolecularWeight: 424.5127

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O4/c1-30-21-14-19-8-9-27(16-20(19)15-22(21)31-2)23(28)17-25-10-12-26(13-11-25)24(29)18-6-4-3-5-7-18/h3-7,14-15H,8-13,16-17H2,1-2H3/p+1