7-chloranyl-2-[(4-morpholin-4-ylcarbonylpiperazin-1-ium-1-yl)methyl]quinazolin-4-olate

Systemtic Name: 7-chloranyl-2-[(4-morpholin-4-ylcarbonylpiperazin-1-ium-1-yl)methyl]quinazolin-4-olate Openeye Name: 7-chloro-2-[[4-(morpholine-4-carbonyl)piperazin-1-ium-1-yl]methyl]quinazolin-4-olate CAS Name: 7-chloro-2-[[4-[4-morpholinyl(oxo)methyl]-1-piperazin-1-iumyl]methyl]-4-quinazolinolate IUPAC Name: 7-chloro-2-[[4-(morpholine-4-carbonyl)piperazin-1-ium-1-yl]methyl]quinazolin-4-olate Traditional Name: 7-chloro-2-[[4-(morpholine-4-carbonyl)piperazin-1-ium-1-yl]methyl]quinazolin-4-olate Formula: C18H22ClN5O3 MolecularWeight: 391.85198

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=C(C=CC(=C3)Cl)C(=N2)[O-])C(=O)N4CCOCC4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=C(C=CC(=C3)Cl)C(=N2)[O-])C(=O)N4CCOCC4

InChI

InChI=1S/C18H22ClN5O3/c19-13-1-2-14-15(11-13)20-16(21-17(14)25)12-22-3-5-23(6-4-22)18(26)24-7-9-27-10-8-24/h1-2,11H,3-10,12H2,(H,20,21,25)