2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-piperonylpiperazin-1-ium-1-yl)ethanone Formula: C23H28N3O3+ MolecularWeight: 394.48672

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H27N3O3/c27-23(26-8-7-19-3-1-2-4-20(19)15-26)16-25-11-9-24(10-12-25)14-18-5-6-21-22(13-18)29-17-28-21/h1-6,13H,7-12,14-17H2/p+1