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

Systemtic Name: 1-[6-chloranyl-3-(4-methoxyphenyl)sulfonyl-quinolin-1-ium-4-yl]piperidine-4-carboxamide Openeye Name: 1-[6-chloro-3-(4-methoxyphenyl)sulfonyl-quinolin-1-ium-4-yl]piperidine-4-carboxamide CAS Name: 1-[6-chloro-3-(4-methoxyphenyl)sulfonyl-4-quinolin-1-iumyl]-4-piperidinecarboxamide IUPAC Name: 1-[6-chloro-3-(4-methoxyphenyl)sulfonylquinolin-1-ium-4-yl]piperidine-4-carboxamide Traditional Name: 1-[6-chloro-3-(4-methoxyphenyl)sulfonyl-quinolin-1-ium-4-yl]isonipecotamide Formula: C22H23ClN3O4S+ MolecularWeight: 460.95372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)C2=C[NH+]=C3C=CC(=CC3=C2N4CCC(CC4)C(=O)N)Cl

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)C2=C[NH+]=C3C=CC(=CC3=C2N4CCC(CC4)C(=O)N)Cl

InChI

InChI=1S/C22H22ClN3O4S/c1-30-16-3-5-17(6-4-16)31(28,29)20-13-25-19-7-2-15(23)12-18(19)21(20)26-10-8-14(9-11-26)22(24)27/h2-7,12-14H,8-11H2,1H3,(H2,24,27)/p+1