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

Systemtic Name: 1-morpholin-4-yl-2-[4-(2-pyridin-3-ylquinolin-4-yl)carbonylpiperazin-1-ium-1-yl]ethanone Openeye Name: 1-morpholino-2-[4-[2-(3-pyridyl)quinoline-4-carbonyl]piperazin-1-ium-1-yl]ethanone CAS Name: 1-(4-morpholinyl)-2-[4-[oxo-[2-(3-pyridinyl)-4-quinolinyl]methyl]-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-morpholin-4-yl-2-[4-(2-pyridin-3-ylquinoline-4-carbonyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-morpholino-2-[4-[2-(3-pyridyl)quinoline-4-carbonyl]piperazin-1-ium-1-yl]ethanone Formula: C25H28N5O3+ MolecularWeight: 446.52152

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N2CCOCC2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CN=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2CCOCC2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CN=CC=C5

InChI

InChI=1S/C25H27N5O3/c31-24(29-12-14-33-15-13-29)18-28-8-10-30(11-9-28)25(32)21-16-23(19-4-3-7-26-17-19)27-22-6-2-1-5-20(21)22/h1-7,16-17H,8-15,18H2/p+1