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

Systemtic Name: 4-[(6-chloranyl-4-morpholin-4-yl-quinazolin-2-yl)methyl]-1-cyclopentyl-piperazin-4-ium-2-one Openeye Name: 4-[(6-chloro-4-morpholino-quinazolin-2-yl)methyl]-1-cyclopentyl-piperazin-4-ium-2-one CAS Name: 4-[[6-chloro-4-(4-morpholinyl)-2-quinazolinyl]methyl]-1-cyclopentyl-2-piperazin-4-iumone IUPAC Name: 4-[(6-chloro-4-morpholin-4-ylquinazolin-2-yl)methyl]-1-cyclopentylpiperazin-4-ium-2-one Traditional Name: 4-[(6-chloro-4-morpholino-quinazolin-2-yl)methyl]-1-cyclopentyl-piperazin-4-ium-2-one Formula: C22H29ClN5O2+ MolecularWeight: 430.95096

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2CC[NH+](CC2=O)CC3=NC4=C(C=C(C=C4)Cl)C(=N3)N5CCOCC5

Isomeric SMILES

C1CCC(C1)N2CC[NH+](CC2=O)CC3=NC4=C(C=C(C=C4)Cl)C(=N3)N5CCOCC5

InChI

InChI=1S/C22H28ClN5O2/c23-16-5-6-19-18(13-16)22(27-9-11-30-12-10-27)25-20(24-19)14-26-7-8-28(21(29)15-26)17-3-1-2-4-17/h5-6,13,17H,1-4,7-12,14-15H2/p+1