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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C1)C(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CC2=CC=CC=C2N(C1)C(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CC=C4

InChI

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