N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-2-oxidanylidene-1H-quinoline-4-carboxamide

Systemtic Name: N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-2-oxidanylidene-1H-quinoline-4-carboxamide Openeye Name: N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-2-oxo-1H-quinoline-4-carboxamide CAS Name: N-[[1-(4-morpholin-4-iumyl)cyclohexyl]methyl]-2-oxo-1H-quinoline-4-carboxamide IUPAC Name: N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-2-oxo-1H-quinoline-4-carboxamide Traditional Name: 2-keto-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-1H-quinoline-4-carboxamide Formula: C21H28N3O3+ MolecularWeight: 370.46532

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)C2=CC(=O)NC3=CC=CC=C32)[NH+]4CCOCC4

Isomeric SMILES

C1CCC(CC1)(CNC(=O)C2=CC(=O)NC3=CC=CC=C32)[NH+]4CCOCC4

InChI

InChI=1S/C21H27N3O3/c25-19-14-17(16-6-2-3-7-18(16)23-19)20(26)22-15-21(8-4-1-5-9-21)24-10-12-27-13-11-24/h2-3,6-7,14H,1,4-5,8-13,15H2,(H,22,26)(H,23,25)/p+1