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

Systemtic Name: 2-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ium-4-ylpropyl)quinoline-4-carboxamide Openeye Name: N-(3-morpholin-4-ium-4-ylpropyl)-2-(p-tolylsulfanyl)quinoline-4-carboxamide CAS Name: 2-[(4-methylphenyl)thio]-N-[3-(4-morpholin-4-iumyl)propyl]-4-quinolinecarboxamide IUPAC Name: 2-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ium-4-ylpropyl)quinoline-4-carboxamide Traditional Name: N-(3-morpholin-4-ium-4-ylpropyl)-2-(p-tolylthio)cinchoninamide Formula: C24H28N3O2S+ MolecularWeight: 422.56302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC3=CC=CC=C3C(=C2)C(=O)NCCC[NH+]4CCOCC4

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC3=CC=CC=C3C(=C2)C(=O)NCCC[NH+]4CCOCC4

InChI

InChI=1S/C24H27N3O2S/c1-18-7-9-19(10-8-18)30-23-17-21(20-5-2-3-6-22(20)26-23)24(28)25-11-4-12-27-13-15-29-16-14-27/h2-3,5-10,17H,4,11-16H2,1H3,(H,25,28)/p+1