ethyl 4-[(7-chloranyl-4-morpholin-4-yl-quinazolin-2-yl)methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(7-chloranyl-4-morpholin-4-yl-quinazolin-2-yl)methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(7-chloro-4-morpholino-quinazolin-2-yl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[[7-chloro-4-(4-morpholinyl)-2-quinazolinyl]methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(7-chloro-4-morpholin-4-ylquinazolin-2-yl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(7-chloro-4-morpholino-quinazolin-2-yl)methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C20H27ClN5O3+ MolecularWeight: 420.91308

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC2=NC3=C(C=CC(=C3)Cl)C(=N2)N4CCOCC4

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC2=NC3=C(C=CC(=C3)Cl)C(=N2)N4CCOCC4

InChI

InChI=1S/C20H26ClN5O3/c1-2-29-20(27)26-7-5-24(6-8-26)14-18-22-17-13-15(21)3-4-16(17)19(23-18)25-9-11-28-12-10-25/h3-4,13H,2,5-12,14H2,1H3/p+1