2-[4-[2-(4-methoxyphenyl)quinolin-4-yl]carbonylpiperazin-1-ium-1-yl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[4-[2-(4-methoxyphenyl)quinolin-4-yl]carbonylpiperazin-1-ium-1-yl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[4-[2-(4-methoxyphenyl)quinoline-4-carbonyl]piperazin-1-ium-1-yl]-1-(1-piperidyl)ethanone CAS Name: 2-[4-[[2-(4-methoxyphenyl)-4-quinolinyl]-oxomethyl]-1-piperazin-1-iumyl]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[4-[2-(4-methoxyphenyl)quinoline-4-carbonyl]piperazin-1-ium-1-yl]-1-piperidin-1-ylethanone Traditional Name: 2-[4-[2-(4-methoxyphenyl)quinoline-4-carbonyl]piperazin-1-ium-1-yl]-1-piperidino-ethanone Formula: C28H33N4O3+ MolecularWeight: 473.58662

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CC[NH+](CC4)CC(=O)N5CCCCC5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CC[NH+](CC4)CC(=O)N5CCCCC5

InChI

InChI=1S/C28H32N4O3/c1-35-22-11-9-21(10-12-22)26-19-24(23-7-3-4-8-25(23)29-26)28(34)32-17-15-30(16-18-32)20-27(33)31-13-5-2-6-14-31/h3-4,7-12,19H,2,5-6,13-18,20H2,1H3/p+1