6-chloranyl-2-(5-methylfuran-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)quinoline-4-carboxamide

Systemtic Name: 6-chloranyl-2-(5-methylfuran-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)quinoline-4-carboxamide Openeye Name: 6-chloro-2-(5-methyl-2-furyl)-N-(3-morpholin-4-ium-4-ylpropyl)quinoline-4-carboxamide CAS Name: 6-chloro-2-(5-methyl-2-furanyl)-N-[3-(4-morpholin-4-iumyl)propyl]-4-quinolinecarboxamide IUPAC Name: 6-chloro-2-(5-methylfuran-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)quinoline-4-carboxamide Traditional Name: 6-chloro-2-(5-methyl-2-furyl)-N-(3-morpholin-4-ium-4-ylpropyl)cinchoninamide Formula: C22H25ClN3O3+ MolecularWeight: 414.9052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=NC3=C(C=C(C=C3)Cl)C(=C2)C(=O)NCCC[NH+]4CCOCC4

Isomeric SMILES

CC1=CC=C(O1)C2=NC3=C(C=C(C=C3)Cl)C(=C2)C(=O)NCCC[NH+]4CCOCC4

InChI

InChI=1S/C22H24ClN3O3/c1-15-3-6-21(29-15)20-14-18(17-13-16(23)4-5-19(17)25-20)22(27)24-7-2-8-26-9-11-28-12-10-26/h3-6,13-14H,2,7-12H2,1H3,(H,24,27)/p+1