N-(4-methylpiperazin-4-ium-1-yl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide

Systemtic Name: N-(4-methylpiperazin-4-ium-1-yl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide Openeye Name: N-(4-methylpiperazin-4-ium-1-yl)-2-(5-methyl-2-thienyl)quinoline-4-carboxamide CAS Name: N-(4-methyl-1-piperazin-4-iumyl)-2-(5-methyl-2-thiophenyl)-4-quinolinecarboxamide IUPAC Name: N-(4-methylpiperazin-4-ium-1-yl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide Traditional Name: N-(4-methylpiperazin-4-ium-1-yl)-2-(5-methyl-2-thienyl)cinchoninamide Formula: C20H23N4OS+ MolecularWeight: 367.48782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2=NC3=CC=CC=C3C(=C2)C(=O)NN4CC[NH+](CC4)C

Isomeric SMILES

CC1=CC=C(S1)C2=NC3=CC=CC=C3C(=C2)C(=O)NN4CC[NH+](CC4)C

InChI

InChI=1S/C20H22N4OS/c1-14-7-8-19(26-14)18-13-16(15-5-3-4-6-17(15)21-18)20(25)22-24-11-9-23(2)10-12-24/h3-8,13H,9-12H2,1-2H3,(H,22,25)/p+1