(2S)-N-[[6-chloranyl-4-(cyclopentylamino)quinazolin-2-yl]methyl]-1-methyl-azepan-1-ium-2-carboxamide

Systemtic Name: (2S)-N-[[6-chloranyl-4-(cyclopentylamino)quinazolin-2-yl]methyl]-1-methyl-azepan-1-ium-2-carboxamide Openeye Name: (2S)-N-[[6-chloro-4-(cyclopentylamino)quinazolin-2-yl]methyl]-1-methyl-azepan-1-ium-2-carboxamide CAS Name: (2S)-N-[[6-chloro-4-(cyclopentylamino)-2-quinazolinyl]methyl]-1-methyl-2-azepan-1-iumcarboxamide IUPAC Name: (2S)-N-[[6-chloro-4-(cyclopentylamino)quinazolin-2-yl]methyl]-1-methylazepan-1-ium-2-carboxamide Traditional Name: (2S)-N-[[6-chloro-4-(cyclopentylamino)quinazolin-2-yl]methyl]-1-methyl-azepan-1-ium-2-carboxamide Formula: C22H31ClN5O+ MolecularWeight: 416.96744

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCCCC1C(=O)NCC2=NC3=C(C=C(C=C3)Cl)C(=N2)NC4CCCC4

Isomeric SMILES

C[NH+]1CCCCC[C@H]1C(=O)NCC2=NC3=C(C=C(C=C3)Cl)C(=N2)NC4CCCC4

InChI

InChI=1S/C22H30ClN5O/c1-28-12-6-2-3-9-19(28)22(29)24-14-20-26-18-11-10-15(23)13-17(18)21(27-20)25-16-7-4-5-8-16/h10-11,13,16,19H,2-9,12,14H2,1H3,(H,24,29)(H,25,26,27)/p+1/t19-/m0/s1