6-chloranyl-2-(5-ethylthiophen-2-yl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]quinoline-4-carboxamide

Systemtic Name: 6-chloranyl-2-(5-ethylthiophen-2-yl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]quinoline-4-carboxamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-6-chloro-2-(5-ethyl-2-thienyl)quinoline-4-carboxamide CAS Name: 6-chloro-2-(5-ethyl-2-thiophenyl)-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-4-quinolinecarboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-6-chloro-2-(5-ethylthiophen-2-yl)quinoline-4-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-6-chloro-2-(5-ethyl-2-thienyl)cinchoninamide Formula: C28H29ClN3OS+ MolecularWeight: 491.06736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C2=NC3=C(C=C(C=C3)Cl)C(=C2)C(=O)NC4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

CCC1=CC=C(S1)C2=NC3=C(C=C(C=C3)Cl)C(=C2)C(=O)NC4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C28H28ClN3OS/c1-2-22-9-11-27(34-22)26-17-24(23-16-20(29)8-10-25(23)31-26)28(33)30-21-12-14-32(15-13-21)18-19-6-4-3-5-7-19/h3-11,16-17,21H,2,12-15,18H2,1H3,(H,30,33)/p+1