1-[6-ethyl-3-(4-methylphenyl)sulfonyl-quinolin-1-ium-4-yl]piperidine-4-carboxamide

Systemtic Name: 1-[6-ethyl-3-(4-methylphenyl)sulfonyl-quinolin-1-ium-4-yl]piperidine-4-carboxamide Openeye Name: 1-[6-ethyl-3-(p-tolylsulfonyl)quinolin-1-ium-4-yl]piperidine-4-carboxamide CAS Name: 1-[6-ethyl-3-(4-methylphenyl)sulfonyl-4-quinolin-1-iumyl]-4-piperidinecarboxamide IUPAC Name: 1-[6-ethyl-3-(4-methylphenyl)sulfonylquinolin-1-ium-4-yl]piperidine-4-carboxamide Traditional Name: 1-(6-ethyl-3-tosyl-quinolin-1-ium-4-yl)isonipecotamide Formula: C24H28N3O3S+ MolecularWeight: 438.56242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C(=C[NH+]=C2C=C1)S(=O)(=O)C3=CC=C(C=C3)C)N4CCC(CC4)C(=O)N

Isomeric SMILES

CCC1=CC2=C(C(=C[NH+]=C2C=C1)S(=O)(=O)C3=CC=C(C=C3)C)N4CCC(CC4)C(=O)N

InChI

InChI=1S/C24H27N3O3S/c1-3-17-6-9-21-20(14-17)23(27-12-10-18(11-13-27)24(25)28)22(15-26-21)31(29,30)19-7-4-16(2)5-8-19/h4-9,14-15,18H,3,10-13H2,1-2H3,(H2,25,28)/p+1