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

Systemtic Name: N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2-oxidanylidene-1H-quinoline-4-carboxamide Openeye Name: N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2-oxo-1H-quinoline-4-carboxamide CAS Name: N-[[2-(4-morpholin-4-iumylmethyl)phenyl]methyl]-2-oxo-1H-quinoline-4-carboxamide IUPAC Name: N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2-oxo-1H-quinoline-4-carboxamide Traditional Name: 2-keto-N-[2-(morpholin-4-ium-4-ylmethyl)benzyl]-1H-quinoline-4-carboxamide Formula: C22H24N3O3+ MolecularWeight: 378.44426

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC=CC=C2CNC(=O)C3=CC(=O)NC4=CC=CC=C43

Isomeric SMILES

C1COCC[NH+]1CC2=CC=CC=C2CNC(=O)C3=CC(=O)NC4=CC=CC=C43

InChI

InChI=1S/C22H23N3O3/c26-21-13-19(18-7-3-4-8-20(18)24-21)22(27)23-14-16-5-1-2-6-17(16)15-25-9-11-28-12-10-25/h1-8,13H,9-12,14-15H2,(H,23,27)(H,24,26)/p+1