(2S)-1-[(6-chloranyl-4-morpholin-4-yl-quinazolin-2-yl)methyl]pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S)-1-[(6-chloranyl-4-morpholin-4-yl-quinazolin-2-yl)methyl]pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S)-1-[(6-chloro-4-morpholino-quinazolin-2-yl)methyl]pyrrolidin-1-ium-2-carboxamide CAS Name: (2S)-1-[[6-chloro-4-(4-morpholinyl)-2-quinazolinyl]methyl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S)-1-[(6-chloro-4-morpholin-4-ylquinazolin-2-yl)methyl]pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S)-1-[(6-chloro-4-morpholino-quinazolin-2-yl)methyl]pyrrolidin-1-ium-2-carboxamide Formula: C18H23ClN5O2+ MolecularWeight: 376.86052

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC2=NC3=C(C=C(C=C3)Cl)C(=N2)N4CCOCC4)C(=O)N

Isomeric SMILES

C1C[C@H]([NH+](C1)CC2=NC3=C(C=C(C=C3)Cl)C(=N2)N4CCOCC4)C(=O)N

InChI

InChI=1S/C18H22ClN5O2/c19-12-3-4-14-13(10-12)18(23-6-8-26-9-7-23)22-16(21-14)11-24-5-1-2-15(24)17(20)25/h3-4,10,15H,1-2,5-9,11H2,(H2,20,25)/p+1/t15-/m0/s1