N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]-2-oxidanylidene-1H-quinoline-3-carboxamide

Systemtic Name: N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]-2-oxidanylidene-1H-quinoline-3-carboxamide Openeye Name: N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]-2-oxo-1H-quinoline-3-carboxamide CAS Name: N-[(2S)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]-2-oxo-1H-quinoline-3-carboxamide IUPAC Name: N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]-2-oxo-1H-quinoline-3-carboxamide Traditional Name: 2-keto-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]-1H-quinoline-3-carboxamide Formula: C20H22N3O3S+ MolecularWeight: 384.47198

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C(CNC(=O)C2=CC3=CC=CC=C3NC2=O)C4=CC=CS4

Isomeric SMILES

C1COCC[NH+]1[C@@H](CNC(=O)C2=CC3=CC=CC=C3NC2=O)C4=CC=CS4

InChI

InChI=1S/C20H21N3O3S/c24-19(15-12-14-4-1-2-5-16(14)22-20(15)25)21-13-17(18-6-3-11-27-18)23-7-9-26-10-8-23/h1-6,11-12,17H,7-10,13H2,(H,21,24)(H,22,25)/p+1/t17-/m0/s1