N-[(1-methylpiperidin-1-ium-4-ylidene)amino]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide

Systemtic Name: N-[(1-methylpiperidin-1-ium-4-ylidene)amino]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide Openeye Name: N-[(1-methylpiperidin-1-ium-4-ylidene)amino]-2-(5-methyl-2-thienyl)quinoline-4-carboxamide CAS Name: N-[(1-methyl-4-piperidin-1-iumylidene)amino]-2-(5-methyl-2-thiophenyl)-4-quinolinecarboxamide IUPAC Name: N-[(1-methylpiperidin-1-ium-4-ylidene)amino]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide Traditional Name: N-[(1-methylpiperidin-1-ium-4-ylidene)amino]-2-(5-methyl-2-thienyl)cinchoninamide Formula: C21H23N4OS+ MolecularWeight: 379.49852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2=NC3=CC=CC=C3C(=C2)C(=O)NN=C4CC[NH+](CC4)C

Isomeric SMILES

CC1=CC=C(S1)C2=NC3=CC=CC=C3C(=C2)C(=O)NN=C4CC[NH+](CC4)C

InChI

InChI=1S/C21H22N4OS/c1-14-7-8-20(27-14)19-13-17(16-5-3-4-6-18(16)22-19)21(26)24-23-15-9-11-25(2)12-10-15/h3-8,13H,9-12H2,1-2H3,(H,24,26)/p+1