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

Systemtic Name: 1-[6-ethoxy-3-(phenylsulfonyl)quinolin-1-ium-4-yl]piperidine-4-carboxamide Openeye Name: 1-[3-(benzenesulfonyl)-6-ethoxy-quinolin-1-ium-4-yl]piperidine-4-carboxamide CAS Name: 1-[3-(benzenesulfonyl)-6-ethoxy-4-quinolin-1-iumyl]-4-piperidinecarboxamide IUPAC Name: 1-[3-(benzenesulfonyl)-6-ethoxyquinolin-1-ium-4-yl]piperidine-4-carboxamide Traditional Name: 1-(3-besyl-6-ethoxy-quinolin-1-ium-4-yl)isonipecotamide Formula: C23H26N3O4S+ MolecularWeight: 440.53524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O4S/c1-2-30-17-8-9-20-19(14-17)22(26-12-10-16(11-13-26)23(24)27)21(15-25-20)31(28,29)18-6-4-3-5-7-18/h3-9,14-16H,2,10-13H2,1H3,(H2,24,27)/p+1