4-(4-oxidanylidenequinazolin-3-yl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide

Systemtic Name: 4-(4-oxidanylidenequinazolin-3-yl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide Openeye Name: 4-(4-oxoquinazolin-3-yl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide CAS Name: 4-(4-oxo-3-quinazolinyl)-N-[[1-(1-piperidin-1-iumyl)cyclohexyl]methyl]benzamide IUPAC Name: 4-(4-oxoquinazolin-3-yl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide Traditional Name: 4-(4-ketoquinazolin-3-yl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide Formula: C27H33N4O2+ MolecularWeight: 445.57652

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)C2=CC=C(C=C2)N3C=NC4=CC=CC=C4C3=O)[NH+]5CCCCC5

Isomeric SMILES

C1CCC(CC1)(CNC(=O)C2=CC=C(C=C2)N3C=NC4=CC=CC=C4C3=O)[NH+]5CCCCC5

InChI

InChI=1S/C27H32N4O2/c32-25(28-19-27(15-5-1-6-16-27)30-17-7-2-8-18-30)21-11-13-22(14-12-21)31-20-29-24-10-4-3-9-23(24)26(31)33/h3-4,9-14,20H,1-2,5-8,15-19H2,(H,28,32)/p+1