3-(4-oxidanylidenecinnolin-1-yl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]propanamide

Systemtic Name: 3-(4-oxidanylidenecinnolin-1-yl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]propanamide Openeye Name: 3-(4-oxocinnolin-1-yl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]propanamide CAS Name: 3-(4-oxo-1-cinnolinyl)-N-[[1-(1-piperidin-1-iumyl)cyclohexyl]methyl]propanamide IUPAC Name: 3-(4-oxocinnolin-1-yl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]propanamide Traditional Name: 3-(4-ketocinnolin-1-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)CCN2C3=CC=CC=C3C(=O)C=N2)[NH+]4CCCCC4

Isomeric SMILES

C1CCC(CC1)(CNC(=O)CCN2C3=CC=CC=C3C(=O)C=N2)[NH+]4CCCCC4

InChI

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