1-morpholin-4-yl-2-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-morpholin-4-yl-2-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-ium-1-yl]ethanone Openeye Name: 1-morpholino-2-[4-[2-(3-pyridyl)quinazolin-4-yl]piperazin-1-ium-1-yl]ethanone CAS Name: 1-(4-morpholinyl)-2-[4-[2-(3-pyridinyl)-4-quinazolinyl]-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-morpholin-4-yl-2-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-morpholino-2-[4-[2-(3-pyridyl)quinazolin-4-yl]piperazin-1-ium-1-yl]ethanone Formula: C23H27N6O2+ MolecularWeight: 419.49948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N6O2/c30-21(28-12-14-31-15-13-28)17-27-8-10-29(11-9-27)23-19-5-1-2-6-20(19)25-22(26-23)18-4-3-7-24-16-18/h1-7,16H,8-15,17H2/p+1