2-(5-methylthiophen-2-yl)-N-(pyridin-1-ium-3-ylmethyl)quinoline-4-carboxamide

Systemtic Name: 2-(5-methylthiophen-2-yl)-N-(pyridin-1-ium-3-ylmethyl)quinoline-4-carboxamide Openeye Name: 2-(5-methyl-2-thienyl)-N-(pyridin-1-ium-3-ylmethyl)quinoline-4-carboxamide CAS Name: 2-(5-methyl-2-thiophenyl)-N-(3-pyridin-1-iumylmethyl)-4-quinolinecarboxamide IUPAC Name: 2-(5-methylthiophen-2-yl)-N-(pyridin-1-ium-3-ylmethyl)quinoline-4-carboxamide Traditional Name: 2-(5-methyl-2-thienyl)-N-(pyridin-1-ium-3-ylmethyl)cinchoninamide Formula: C21H18N3OS+ MolecularWeight: 360.45212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=C[NH+]=CC=C4

Isomeric SMILES

CC1=CC=C(S1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=C[NH+]=CC=C4

InChI

InChI=1S/C21H17N3OS/c1-14-8-9-20(26-14)19-11-17(16-6-2-3-7-18(16)24-19)21(25)23-13-15-5-4-10-22-12-15/h2-12H,13H2,1H3,(H,23,25)/p+1