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

Systemtic Name: 3-(4-oxidanylidene-1H-quinazolin-2-yl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]propanamide Openeye Name: 3-(4-oxo-1H-quinazolin-2-yl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]propanamide CAS Name: 3-(4-oxo-1H-quinazolin-2-yl)-N-[[1-(1-piperidin-1-iumyl)cyclohexyl]methyl]propanamide IUPAC Name: 3-(4-oxo-1H-quinazolin-2-yl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]propanamide Traditional Name: 3-(4-keto-1H-quinazolin-2-yl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]propionamide Formula: C23H33N4O2+ MolecularWeight: 397.53372

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)CCC2=NC(=O)C3=CC=CC=C3N2)[NH+]4CCCCC4

Isomeric SMILES

C1CCC(CC1)(CNC(=O)CCC2=NC(=O)C3=CC=CC=C3N2)[NH+]4CCCCC4

InChI

InChI=1S/C23H32N4O2/c28-21(12-11-20-25-19-10-4-3-9-18(19)22(29)26-20)24-17-23(13-5-1-6-14-23)27-15-7-2-8-16-27/h3-4,9-10H,1-2,5-8,11-17H2,(H,24,28)(H,25,26,29)/p+1