1-[1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-(4-methylpiperazin-4-ium-1-yl)ethanone chloride

Systemtic Name: 1-[1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-(4-methylpiperazin-4-ium-1-yl)ethanone chloride Openeye Name: 1-[1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-(4-methylpiperazin-4-ium-1-yl)ethanone chloride CAS Name: 1-[1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-(4-methyl-1-piperazin-4-iumyl)ethanone chloride IUPAC Name: 1-[1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-(4-methylpiperazin-4-ium-1-yl)ethanone chloride Traditional Name: 1-[1-(3,4-diethoxybenzyl)-6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-(4-methylpiperazin-4-ium-1-yl)ethanone chloride Formula: C31H46ClN3O5 MolecularWeight: 576.16704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3CCN2C(=O)CN4CC[NH+](CC4)C)OCC)OCC)OCC.[Cl-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3CCN2C(=O)CN4CC[NH+](CC4)C)OCC)OCC)OCC.[Cl-]

InChI

InChI=1S/C31H45N3O5.ClH/c1-6-36-27-11-10-23(19-28(27)37-7-2)18-26-25-21-30(39-9-4)29(38-8-3)20-24(25)12-13-34(26)31(35)22-33-16-14-32(5)15-17-33;/h10-11,19-21,26H,6-9,12-18,22H2,1-5H3;1H