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

Systemtic Name: 2-(4-ethoxyphenyl)sulfanyl-N-(3-morpholin-4-ium-4-ylpropyl)quinoline-4-carboxamide Openeye Name: 2-(4-ethoxyphenyl)sulfanyl-N-(3-morpholin-4-ium-4-ylpropyl)quinoline-4-carboxamide CAS Name: 2-[(4-ethoxyphenyl)thio]-N-[3-(4-morpholin-4-iumyl)propyl]-4-quinolinecarboxamide IUPAC Name: 2-(4-ethoxyphenyl)sulfanyl-N-(3-morpholin-4-ium-4-ylpropyl)quinoline-4-carboxamide Traditional Name: N-(3-morpholin-4-ium-4-ylpropyl)-2-(p-phenetylthio)cinchoninamide Formula: C25H30N3O3S+ MolecularWeight: 452.589

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)SC2=NC3=CC=CC=C3C(=C2)C(=O)NCCC[NH+]4CCOCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)SC2=NC3=CC=CC=C3C(=C2)C(=O)NCCC[NH+]4CCOCC4

InChI

InChI=1S/C25H29N3O3S/c1-2-31-19-8-10-20(11-9-19)32-24-18-22(21-6-3-4-7-23(21)27-24)25(29)26-12-5-13-28-14-16-30-17-15-28/h3-4,6-11,18H,2,5,12-17H2,1H3,(H,26,29)/p+1