N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-2-oxidanylidene-1H-quinoline-4-carboxamide

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-2-oxidanylidene-1H-quinoline-4-carboxamide Openeye Name: N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-2-oxo-1H-quinoline-4-carboxamide CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(4-morpholin-4-iumyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide IUPAC Name: N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]-2-oxo-1H-quinoline-4-carboxamide Traditional Name: 2-keto-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-1H-quinoline-4-carboxamide Formula: C23H26N3O4+ MolecularWeight: 408.47024

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2=CC(=O)NC3=CC=CC=C32)[NH+]4CCOCC4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)C2=CC(=O)NC3=CC=CC=C32)[NH+]4CCOCC4

InChI

InChI=1S/C23H25N3O4/c1-29-17-8-6-16(7-9-17)21(26-10-12-30-13-11-26)15-24-23(28)19-14-22(27)25-20-5-3-2-4-18(19)20/h2-9,14,21H,10-13,15H2,1H3,(H,24,28)(H,25,27)/p+1/t21-/m0/s1