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

Systemtic Name: N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-3-(4-oxidanylidene-1H-quinazolin-2-yl)propanamide Openeye Name: N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-3-(4-oxo-1H-quinazolin-2-yl)propanamide CAS Name: N-[[1-(4-morpholin-4-iumyl)cyclohexyl]methyl]-3-(4-oxo-1H-quinazolin-2-yl)propanamide IUPAC Name: N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-3-(4-oxo-1H-quinazolin-2-yl)propanamide Traditional Name: 3-(4-keto-1H-quinazolin-2-yl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]propionamide Formula: C22H31N4O3+ MolecularWeight: 399.50654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)CCC2=NC(=O)C3=CC=CC=C3N2)[NH+]4CCOCC4

Isomeric SMILES

C1CCC(CC1)(CNC(=O)CCC2=NC(=O)C3=CC=CC=C3N2)[NH+]4CCOCC4

InChI

InChI=1S/C22H30N4O3/c27-20(9-8-19-24-18-7-3-2-6-17(18)21(28)25-19)23-16-22(10-4-1-5-11-22)26-12-14-29-15-13-26/h2-3,6-7H,1,4-5,8-16H2,(H,23,27)(H,24,25,28)/p+1