2-(5-chloranylthiophen-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)quinoline-4-carboxamide

Systemtic Name: 2-(5-chloranylthiophen-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)quinoline-4-carboxamide Openeye Name: 2-(5-chloro-2-thienyl)-N-(3-morpholin-4-ium-4-ylpropyl)quinoline-4-carboxamide CAS Name: 2-(5-chloro-2-thiophenyl)-N-[3-(4-morpholin-4-iumyl)propyl]-4-quinolinecarboxamide IUPAC Name: 2-(5-chlorothiophen-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)quinoline-4-carboxamide Traditional Name: 2-(5-chloro-2-thienyl)-N-(3-morpholin-4-ium-4-ylpropyl)cinchoninamide Formula: C21H23ClN3O2S+ MolecularWeight: 416.94422

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(S4)Cl

Isomeric SMILES

C1COCC[NH+]1CCCNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(S4)Cl

InChI

InChI=1S/C21H22ClN3O2S/c22-20-7-6-19(28-20)18-14-16(15-4-1-2-5-17(15)24-18)21(26)23-8-3-9-25-10-12-27-13-11-25/h1-2,4-7,14H,3,8-13H2,(H,23,26)/p+1