1-[6-ethoxy-3-(4-methoxyphenyl)sulfonyl-quinolin-1-ium-4-yl]piperidine-4-carboxamide

Systemtic Name: 1-[6-ethoxy-3-(4-methoxyphenyl)sulfonyl-quinolin-1-ium-4-yl]piperidine-4-carboxamide Openeye Name: 1-[6-ethoxy-3-(4-methoxyphenyl)sulfonyl-quinolin-1-ium-4-yl]piperidine-4-carboxamide CAS Name: 1-[6-ethoxy-3-(4-methoxyphenyl)sulfonyl-4-quinolin-1-iumyl]-4-piperidinecarboxamide IUPAC Name: 1-[6-ethoxy-3-(4-methoxyphenyl)sulfonylquinolin-1-ium-4-yl]piperidine-4-carboxamide Traditional Name: 1-[6-ethoxy-3-(4-methoxyphenyl)sulfonyl-quinolin-1-ium-4-yl]isonipecotamide Formula: C24H28N3O5S+ MolecularWeight: 470.56122

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C(=C[NH+]=C2C=C1)S(=O)(=O)C3=CC=C(C=C3)OC)N4CCC(CC4)C(=O)N

Isomeric SMILES

CCOC1=CC2=C(C(=C[NH+]=C2C=C1)S(=O)(=O)C3=CC=C(C=C3)OC)N4CCC(CC4)C(=O)N

InChI

InChI=1S/C24H27N3O5S/c1-3-32-18-6-9-21-20(14-18)23(27-12-10-16(11-13-27)24(25)28)22(15-26-21)33(29,30)19-7-4-17(31-2)5-8-19/h4-9,14-16H,3,10-13H2,1-2H3,(H2,25,28)/p+1