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

Systemtic Name: 2-[4-(2-phenylquinolin-4-yl)carbonylpiperazin-1-ium-1-yl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[4-(2-phenylquinoline-4-carbonyl)piperazin-1-ium-1-yl]-1-(1-piperidyl)ethanone CAS Name: 2-[4-[oxo-(2-phenyl-4-quinolinyl)methyl]-1-piperazin-1-iumyl]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[4-(2-phenylquinoline-4-carbonyl)piperazin-1-ium-1-yl]-1-piperidin-1-ylethanone Traditional Name: 2-[4-(2-phenylquinoline-4-carbonyl)piperazin-1-ium-1-yl]-1-piperidino-ethanone Formula: C27H31N4O2+ MolecularWeight: 443.56064

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C27H30N4O2/c32-26(30-13-7-2-8-14-30)20-29-15-17-31(18-16-29)27(33)23-19-25(21-9-3-1-4-10-21)28-24-12-6-5-11-22(23)24/h1,3-6,9-12,19H,2,7-8,13-18,20H2/p+1