1-[6-methoxy-3-(phenylsulfonyl)quinolin-1-ium-4-yl]piperidine-4-carboxamide

Systemtic Name: 1-[6-methoxy-3-(phenylsulfonyl)quinolin-1-ium-4-yl]piperidine-4-carboxamide Openeye Name: 1-[3-(benzenesulfonyl)-6-methoxy-quinolin-1-ium-4-yl]piperidine-4-carboxamide CAS Name: 1-[3-(benzenesulfonyl)-6-methoxy-4-quinolin-1-iumyl]-4-piperidinecarboxamide IUPAC Name: 1-[3-(benzenesulfonyl)-6-methoxyquinolin-1-ium-4-yl]piperidine-4-carboxamide Traditional Name: 1-(3-besyl-6-methoxy-quinolin-1-ium-4-yl)isonipecotamide Formula: C22H24N3O4S+ MolecularWeight: 426.50866

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C(=C[NH+]=C2C=C1)S(=O)(=O)C3=CC=CC=C3)N4CCC(CC4)C(=O)N

Isomeric SMILES

COC1=CC2=C(C(=C[NH+]=C2C=C1)S(=O)(=O)C3=CC=CC=C3)N4CCC(CC4)C(=O)N

InChI

InChI=1S/C22H23N3O4S/c1-29-16-7-8-19-18(13-16)21(25-11-9-15(10-12-25)22(23)26)20(14-24-19)30(27,28)17-5-3-2-4-6-17/h2-8,13-15H,9-12H2,1H3,(H2,23,26)/p+1