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

Systemtic Name: 2-(5-methylfuran-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)quinoline-4-carboxamide Openeye Name: 2-(5-methyl-2-furyl)-N-(3-morpholin-4-ium-4-ylpropyl)quinoline-4-carboxamide CAS Name: 2-(5-methyl-2-furanyl)-N-[3-(4-morpholin-4-iumyl)propyl]-4-quinolinecarboxamide IUPAC Name: 2-(5-methylfuran-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)quinoline-4-carboxamide Traditional Name: 2-(5-methyl-2-furyl)-N-(3-morpholin-4-ium-4-ylpropyl)cinchoninamide Formula: C22H26N3O3+ MolecularWeight: 380.46014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCC[NH+]4CCOCC4

Isomeric SMILES

CC1=CC=C(O1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCC[NH+]4CCOCC4

InChI

InChI=1S/C22H25N3O3/c1-16-7-8-21(28-16)20-15-18(17-5-2-3-6-19(17)24-20)22(26)23-9-4-10-25-11-13-27-14-12-25/h2-3,5-8,15H,4,9-14H2,1H3,(H,23,26)/p+1