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

Systemtic Name: 1-[6-ethoxy-3-(phenylcarbonyl)quinolin-1-ium-4-yl]piperidine-4-carboxamide Openeye Name: 1-(3-benzoyl-6-ethoxy-quinolin-1-ium-4-yl)piperidine-4-carboxamide CAS Name: 1-(3-benzoyl-6-ethoxy-4-quinolin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-(3-benzoyl-6-ethoxyquinolin-1-ium-4-yl)piperidine-4-carboxamide Traditional Name: 1-(3-benzoyl-6-ethoxy-quinolin-1-ium-4-yl)isonipecotamide Formula: C24H26N3O3+ MolecularWeight: 404.48154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25N3O3/c1-2-30-18-8-9-21-19(14-18)22(27-12-10-17(11-13-27)24(25)29)20(15-26-21)23(28)16-6-4-3-5-7-16/h3-9,14-15,17H,2,10-13H2,1H3,(H2,25,29)/p+1