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

Systemtic Name: N-[2-(azepan-1-ium-1-yl)ethyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinoline-4-carboxamide Openeye Name: N-[2-(azepan-1-ium-1-yl)ethyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinoline-4-carboxamide CAS Name: N-[2-(1-azepan-1-iumyl)ethyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]-4-quinolinecarboxamide IUPAC Name: N-[2-(azepan-1-ium-1-yl)ethyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinoline-4-carboxamide Traditional Name: N-[2-(azepan-1-ium-1-yl)ethyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]cinchoninamide Formula: C21H26N5OS2+ MolecularWeight: 428.59404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)SC2=NC3=CC=CC=C3C(=C2)C(=O)NCC[NH+]4CCCCCC4

Isomeric SMILES

CC1=NN=C(S1)SC2=NC3=CC=CC=C3C(=C2)C(=O)NCC[NH+]4CCCCCC4

InChI

InChI=1S/C21H25N5OS2/c1-15-24-25-21(28-15)29-19-14-17(16-8-4-5-9-18(16)23-19)20(27)22-10-13-26-11-6-2-3-7-12-26/h4-5,8-9,14H,2-3,6-7,10-13H2,1H3,(H,22,27)/p+1