4-(2-methyl-4-oxidanylidene-quinazolin-3-yl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]benzamide

Systemtic Name: 4-(2-methyl-4-oxidanylidene-quinazolin-3-yl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]benzamide Openeye Name: 4-(2-methyl-4-oxo-quinazolin-3-yl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]benzamide CAS Name: 4-(2-methyl-4-oxo-3-quinazolinyl)-N-[[1-(4-morpholin-4-iumyl)cyclohexyl]methyl]benzamide IUPAC Name: 4-(2-methyl-4-oxoquinazolin-3-yl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]benzamide Traditional Name: 4-(4-keto-2-methyl-quinazolin-3-yl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]benzamide Formula: C27H33N4O3+ MolecularWeight: 461.57592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)C(=O)NCC4(CCCCC4)[NH+]5CCOCC5

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)C(=O)NCC4(CCCCC4)[NH+]5CCOCC5

InChI

InChI=1S/C27H32N4O3/c1-20-29-24-8-4-3-7-23(24)26(33)31(20)22-11-9-21(10-12-22)25(32)28-19-27(13-5-2-6-14-27)30-15-17-34-18-16-30/h3-4,7-12H,2,5-6,13-19H2,1H3,(H,28,32)/p+1