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

Systemtic Name: (3R)-4-[(6-chloranyl-4-morpholin-4-yl-quinazolin-2-yl)methyl]-3-ethyl-piperazin-4-ium-2-one Openeye Name: (3R)-4-[(6-chloro-4-morpholino-quinazolin-2-yl)methyl]-3-ethyl-piperazin-4-ium-2-one CAS Name: (3R)-4-[[6-chloro-4-(4-morpholinyl)-2-quinazolinyl]methyl]-3-ethyl-2-piperazin-4-iumone IUPAC Name: (3R)-4-[(6-chloro-4-morpholin-4-ylquinazolin-2-yl)methyl]-3-ethylpiperazin-4-ium-2-one Traditional Name: (3R)-4-[(6-chloro-4-morpholino-quinazolin-2-yl)methyl]-3-ethyl-piperazin-4-ium-2-one Formula: C19H25ClN5O2+ MolecularWeight: 390.8871

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)NCC[NH+]1CC2=NC3=C(C=C(C=C3)Cl)C(=N2)N4CCOCC4

Isomeric SMILES

CC[C@@H]1C(=O)NCC[NH+]1CC2=NC3=C(C=C(C=C3)Cl)C(=N2)N4CCOCC4

InChI

InChI=1S/C19H24ClN5O2/c1-2-16-19(26)21-5-6-25(16)12-17-22-15-4-3-13(20)11-14(15)18(23-17)24-7-9-27-10-8-24/h3-4,11,16H,2,5-10,12H2,1H3,(H,21,26)/p+1/t16-/m1/s1