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

Systemtic Name: 2-(4-ethoxyphenyl)sulfanyl-N-(2-morpholin-4-ium-4-ylethyl)quinoline-4-carboxamide Openeye Name: 2-(4-ethoxyphenyl)sulfanyl-N-(2-morpholin-4-ium-4-ylethyl)quinoline-4-carboxamide CAS Name: 2-[(4-ethoxyphenyl)thio]-N-[2-(4-morpholin-4-iumyl)ethyl]-4-quinolinecarboxamide IUPAC Name: 2-(4-ethoxyphenyl)sulfanyl-N-(2-morpholin-4-ium-4-ylethyl)quinoline-4-carboxamide Traditional Name: N-(2-morpholin-4-ium-4-ylethyl)-2-(p-phenetylthio)cinchoninamide Formula: C24H28N3O3S+ MolecularWeight: 438.56242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O3S/c1-2-30-18-7-9-19(10-8-18)31-23-17-21(20-5-3-4-6-22(20)26-23)24(28)25-11-12-27-13-15-29-16-14-27/h3-10,17H,2,11-16H2,1H3,(H,25,28)/p+1