4-[(6-chloranyl-4-morpholin-4-yl-quinazolin-2-yl)methyl]-1-[(3-fluorophenyl)methyl]piperazin-4-ium-2-one

Systemtic Name: 4-[(6-chloranyl-4-morpholin-4-yl-quinazolin-2-yl)methyl]-1-[(3-fluorophenyl)methyl]piperazin-4-ium-2-one Openeye Name: 4-[(6-chloro-4-morpholino-quinazolin-2-yl)methyl]-1-[(3-fluorophenyl)methyl]piperazin-4-ium-2-one CAS Name: 4-[[6-chloro-4-(4-morpholinyl)-2-quinazolinyl]methyl]-1-[(3-fluorophenyl)methyl]-2-piperazin-4-iumone IUPAC Name: 4-[(6-chloro-4-morpholin-4-ylquinazolin-2-yl)methyl]-1-[(3-fluorophenyl)methyl]piperazin-4-ium-2-one Traditional Name: 4-[(6-chloro-4-morpholino-quinazolin-2-yl)methyl]-1-(3-fluorobenzyl)piperazin-4-ium-2-one Formula: C24H26ClFN5O2+ MolecularWeight: 470.946943

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C[NH+]1CC2=NC3=C(C=C(C=C3)Cl)C(=N2)N4CCOCC4)CC5=CC(=CC=C5)F

Isomeric SMILES

C1CN(C(=O)C[NH+]1CC2=NC3=C(C=C(C=C3)Cl)C(=N2)N4CCOCC4)CC5=CC(=CC=C5)F

InChI

InChI=1S/C24H25ClFN5O2/c25-18-4-5-21-20(13-18)24(30-8-10-33-11-9-30)28-22(27-21)15-29-6-7-31(23(32)16-29)14-17-2-1-3-19(26)12-17/h1-5,12-13H,6-11,14-16H2/p+1