N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-2-(4-oxidanylidenecinnolin-1-yl)ethanamide

Systemtic Name: N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-2-(4-oxidanylidenecinnolin-1-yl)ethanamide Openeye Name: N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-2-(4-oxocinnolin-1-yl)acetamide CAS Name: N-[[1-(4-morpholin-4-iumyl)cyclohexyl]methyl]-2-(4-oxo-1-cinnolinyl)acetamide IUPAC Name: N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-2-(4-oxocinnolin-1-yl)acetamide Traditional Name: 2-(4-ketocinnolin-1-yl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]acetamide Formula: C21H29N4O3+ MolecularWeight: 385.47996

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)CN2C3=CC=CC=C3C(=O)C=N2)[NH+]4CCOCC4

Isomeric SMILES

C1CCC(CC1)(CNC(=O)CN2C3=CC=CC=C3C(=O)C=N2)[NH+]4CCOCC4

InChI

InChI=1S/C21H28N4O3/c26-19-14-23-25(18-7-3-2-6-17(18)19)15-20(27)22-16-21(8-4-1-5-9-21)24-10-12-28-13-11-24/h2-3,6-7,14H,1,4-5,8-13,15-16H2,(H,22,27)/p+1