2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-morpholin-4-ium-4-ylpropyl)quinoline-4-carboxamide

Systemtic Name: 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-morpholin-4-ium-4-ylpropyl)quinoline-4-carboxamide Openeye Name: 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-morpholin-4-ium-4-ylpropyl)quinoline-4-carboxamide CAS Name: 2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]-N-[3-(4-morpholin-4-iumyl)propyl]-4-quinolinecarboxamide IUPAC Name: 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-morpholin-4-ium-4-ylpropyl)quinoline-4-carboxamide Traditional Name: 2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]-N-(3-morpholin-4-ium-4-ylpropyl)cinchoninamide Formula: C20H24N5O2S2+ MolecularWeight: 430.56686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)SC2=NC3=CC=CC=C3C(=C2)C(=O)NCCC[NH+]4CCOCC4

Isomeric SMILES

CC1=NN=C(S1)SC2=NC3=CC=CC=C3C(=C2)C(=O)NCCC[NH+]4CCOCC4

InChI

InChI=1S/C20H23N5O2S2/c1-14-23-24-20(28-14)29-18-13-16(15-5-2-3-6-17(15)22-18)19(26)21-7-4-8-25-9-11-27-12-10-25/h2-3,5-6,13H,4,7-12H2,1H3,(H,21,26)/p+1