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

Systemtic Name: 4-[(7-chloranyl-4-morpholin-4-yl-quinazolin-2-yl)methyl]-1-phenyl-piperazin-4-ium-2-one Openeye Name: 4-[(7-chloro-4-morpholino-quinazolin-2-yl)methyl]-1-phenyl-piperazin-4-ium-2-one CAS Name: 4-[[7-chloro-4-(4-morpholinyl)-2-quinazolinyl]methyl]-1-phenyl-2-piperazin-4-iumone IUPAC Name: 4-[(7-chloro-4-morpholin-4-ylquinazolin-2-yl)methyl]-1-phenylpiperazin-4-ium-2-one Traditional Name: 4-[(7-chloro-4-morpholino-quinazolin-2-yl)methyl]-1-phenyl-piperazin-4-ium-2-one Formula: C23H25ClN5O2+ MolecularWeight: 438.9299

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C[NH+]1CC2=NC3=C(C=CC(=C3)Cl)C(=N2)N4CCOCC4)C5=CC=CC=C5

Isomeric SMILES

C1CN(C(=O)C[NH+]1CC2=NC3=C(C=CC(=C3)Cl)C(=N2)N4CCOCC4)C5=CC=CC=C5

InChI

InChI=1S/C23H24ClN5O2/c24-17-6-7-19-20(14-17)25-21(26-23(19)28-10-12-31-13-11-28)15-27-8-9-29(22(30)16-27)18-4-2-1-3-5-18/h1-7,14H,8-13,15-16H2/p+1