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

Systemtic Name: N-[(1-ethylpiperidin-1-ium-4-ylidene)amino]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide Openeye Name: N-[(1-ethylpiperidin-1-ium-4-ylidene)amino]-2-(5-methyl-2-thienyl)quinoline-4-carboxamide CAS Name: N-[(1-ethyl-4-piperidin-1-iumylidene)amino]-2-(5-methyl-2-thiophenyl)-4-quinolinecarboxamide IUPAC Name: N-[(1-ethylpiperidin-1-ium-4-ylidene)amino]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide Traditional Name: N-[(1-ethylpiperidin-1-ium-4-ylidene)amino]-2-(5-methyl-2-thienyl)cinchoninamide Formula: C22H25N4OS+ MolecularWeight: 393.5251

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(=NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(S4)C)CC1

Isomeric SMILES

CC[NH+]1CCC(=NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(S4)C)CC1

InChI

InChI=1S/C22H24N4OS/c1-3-26-12-10-16(11-13-26)24-25-22(27)18-14-20(21-9-8-15(2)28-21)23-19-7-5-4-6-17(18)19/h4-9,14H,3,10-13H2,1-2H3,(H,25,27)/p+1