2-(3-ethoxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)quinoline-4-carboxamide

Systemtic Name: 2-(3-ethoxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)quinoline-4-carboxamide Openeye Name: 2-(3-ethoxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)quinoline-4-carboxamide CAS Name: 2-(3-ethoxyphenyl)-N-[3-(4-morpholin-4-iumyl)propyl]-4-quinolinecarboxamide IUPAC Name: 2-(3-ethoxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)quinoline-4-carboxamide Traditional Name: N-(3-morpholin-4-ium-4-ylpropyl)-2-m-phenetyl-cinchoninamide Formula: C25H30N3O3+ MolecularWeight: 420.524

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCC[NH+]4CCOCC4

Isomeric SMILES

CCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCC[NH+]4CCOCC4

InChI

InChI=1S/C25H29N3O3/c1-2-31-20-8-5-7-19(17-20)24-18-22(21-9-3-4-10-23(21)27-24)25(29)26-11-6-12-28-13-15-30-16-14-28/h3-5,7-10,17-18H,2,6,11-16H2,1H3,(H,26,29)/p+1