1-[4-[4-[(7-chloranyl-4-morpholin-4-yl-quinazolin-2-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-[(7-chloranyl-4-morpholin-4-yl-quinazolin-2-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-[(7-chloro-4-morpholino-quinazolin-2-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[[7-chloro-4-(4-morpholinyl)-2-quinazolinyl]methyl]-1-piperazin-4-iumyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[(7-chloro-4-morpholin-4-ylquinazolin-2-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-[(7-chloro-4-morpholino-quinazolin-2-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Formula: C25H29ClN5O2+ MolecularWeight: 466.98306

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC3=NC4=C(C=CC(=C4)Cl)C(=N3)N5CCOCC5

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC3=NC4=C(C=CC(=C4)Cl)C(=N3)N5CCOCC5

InChI

InChI=1S/C25H28ClN5O2/c1-18(32)19-2-5-21(6-3-19)30-10-8-29(9-11-30)17-24-27-23-16-20(26)4-7-22(23)25(28-24)31-12-14-33-15-13-31/h2-7,16H,8-15,17H2,1H3/p+1