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

Systemtic Name: N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]-2-oxidanylidene-1H-quinoline-4-carboxamide Openeye Name: N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]-2-oxo-1H-quinoline-4-carboxamide CAS Name: N-[4-(4-morpholin-4-iumylmethyl)phenyl]-2-oxo-1H-quinoline-4-carboxamide IUPAC Name: N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]-2-oxo-1H-quinoline-4-carboxamide Traditional Name: 2-keto-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]-1H-quinoline-4-carboxamide Formula: C21H22N3O3+ MolecularWeight: 364.41768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC=C(C=C2)NC(=O)C3=CC(=O)NC4=CC=CC=C43

Isomeric SMILES

C1COCC[NH+]1CC2=CC=C(C=C2)NC(=O)C3=CC(=O)NC4=CC=CC=C43

InChI

InChI=1S/C21H21N3O3/c25-20-13-18(17-3-1-2-4-19(17)23-20)21(26)22-16-7-5-15(6-8-16)14-24-9-11-27-12-10-24/h1-8,13H,9-12,14H2,(H,22,26)(H,23,25)/p+1