6-chloranyl-2-(2,5-dimethylthiophen-3-yl)-N-(4-methylpiperazin-4-ium-1-yl)quinoline-4-carboxamide

Systemtic Name: 6-chloranyl-2-(2,5-dimethylthiophen-3-yl)-N-(4-methylpiperazin-4-ium-1-yl)quinoline-4-carboxamide Openeye Name: 6-chloro-2-(2,5-dimethyl-3-thienyl)-N-(4-methylpiperazin-4-ium-1-yl)quinoline-4-carboxamide CAS Name: 6-chloro-2-(2,5-dimethyl-3-thiophenyl)-N-(4-methyl-1-piperazin-4-iumyl)-4-quinolinecarboxamide IUPAC Name: 6-chloro-2-(2,5-dimethylthiophen-3-yl)-N-(4-methylpiperazin-4-ium-1-yl)quinoline-4-carboxamide Traditional Name: 6-chloro-2-(2,5-dimethyl-3-thienyl)-N-(4-methylpiperazin-4-ium-1-yl)cinchoninamide Formula: C21H24ClN4OS+ MolecularWeight: 415.95946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C2=NC3=C(C=C(C=C3)Cl)C(=C2)C(=O)NN4CC[NH+](CC4)C

Isomeric SMILES

CC1=CC(=C(S1)C)C2=NC3=C(C=C(C=C3)Cl)C(=C2)C(=O)NN4CC[NH+](CC4)C

InChI

InChI=1S/C21H23ClN4OS/c1-13-10-16(14(2)28-13)20-12-18(17-11-15(22)4-5-19(17)23-20)21(27)24-26-8-6-25(3)7-9-26/h4-5,10-12H,6-9H2,1-3H3,(H,24,27)/p+1