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

Systemtic Name: 1-(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-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone CAS Name: 2-(4-benzoyl-1-piperazin-1-iumyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone IUPAC Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Traditional Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Formula: C22H26N3O2+ MolecularWeight: 364.46074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O2/c26-21(25-11-10-18-6-4-5-9-20(18)16-25)17-23-12-14-24(15-13-23)22(27)19-7-2-1-3-8-19/h1-9H,10-17H2/p+1