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

Systemtic Name: 1-[6-methyl-3-(phenylsulfonyl)quinolin-1-ium-4-yl]piperidine-4-carboxamide Openeye Name: 1-[3-(benzenesulfonyl)-6-methyl-quinolin-1-ium-4-yl]piperidine-4-carboxamide CAS Name: 1-[3-(benzenesulfonyl)-6-methyl-4-quinolin-1-iumyl]-4-piperidinecarboxamide IUPAC Name: 1-[3-(benzenesulfonyl)-6-methylquinolin-1-ium-4-yl]piperidine-4-carboxamide Traditional Name: 1-(3-besyl-6-methyl-quinolin-1-ium-4-yl)isonipecotamide Formula: C22H24N3O3S+ MolecularWeight: 410.50926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C[NH+]=C2C=C1)S(=O)(=O)C3=CC=CC=C3)N4CCC(CC4)C(=O)N

Isomeric SMILES

CC1=CC2=C(C(=C[NH+]=C2C=C1)S(=O)(=O)C3=CC=CC=C3)N4CCC(CC4)C(=O)N

InChI

InChI=1S/C22H23N3O3S/c1-15-7-8-19-18(13-15)21(25-11-9-16(10-12-25)22(23)26)20(14-24-19)29(27,28)17-5-3-2-4-6-17/h2-8,13-14,16H,9-12H2,1H3,(H2,23,26)/p+1