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

Systemtic Name: 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)quinoline-4-carboxamide Openeye Name: 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)quinoline-4-carboxamide CAS Name: 2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]-N-[2-(1-pyrrolidin-1-iumyl)ethyl]-4-quinolinecarboxamide IUPAC Name: 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)quinoline-4-carboxamide Traditional Name: 2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]-N-(2-pyrrolidin-1-ium-1-ylethyl)cinchoninamide Formula: C19H22N5OS2+ MolecularWeight: 400.54088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)SC2=NC3=CC=CC=C3C(=C2)C(=O)NCC[NH+]4CCCC4

Isomeric SMILES

CC1=NN=C(S1)SC2=NC3=CC=CC=C3C(=C2)C(=O)NCC[NH+]4CCCC4

InChI

InChI=1S/C19H21N5OS2/c1-13-22-23-19(26-13)27-17-12-15(14-6-2-3-7-16(14)21-17)18(25)20-8-11-24-9-4-5-10-24/h2-3,6-7,12H,4-5,8-11H2,1H3,(H,20,25)/p+1