1-piperidin-1-yl-2-[4-(2-pyridin-3-ylquinolin-4-yl)carbonylpiperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-piperidin-1-yl-2-[4-(2-pyridin-3-ylquinolin-4-yl)carbonylpiperazin-1-ium-1-yl]ethanone Openeye Name: 1-(1-piperidyl)-2-[4-[2-(3-pyridyl)quinoline-4-carbonyl]piperazin-1-ium-1-yl]ethanone CAS Name: 2-[4-[oxo-[2-(3-pyridinyl)-4-quinolinyl]methyl]-1-piperazin-1-iumyl]-1-(1-piperidinyl)ethanone IUPAC Name: 1-piperidin-1-yl-2-[4-(2-pyridin-3-ylquinoline-4-carbonyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-piperidino-2-[4-[2-(3-pyridyl)quinoline-4-carbonyl]piperazin-1-ium-1-yl]ethanone Formula: C26H30N5O2+ MolecularWeight: 444.5487

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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=CN=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C26H29N5O2/c32-25(30-11-4-1-5-12-30)19-29-13-15-31(16-14-29)26(33)22-17-24(20-7-6-10-27-18-20)28-23-9-3-2-8-21(22)23/h2-3,6-10,17-18H,1,4-5,11-16,19H2/p+1