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

Systemtic Name: 1-[3-(4-ethylphenyl)carbonyl-6-methoxy-quinolin-1-ium-4-yl]piperidine-4-carboxamide Openeye Name: 1-[3-(4-ethylbenzoyl)-6-methoxy-quinolin-1-ium-4-yl]piperidine-4-carboxamide CAS Name: 1-[3-[(4-ethylphenyl)-oxomethyl]-6-methoxy-4-quinolin-1-iumyl]-4-piperidinecarboxamide IUPAC Name: 1-[3-(4-ethylbenzoyl)-6-methoxyquinolin-1-ium-4-yl]piperidine-4-carboxamide Traditional Name: 1-[3-(4-ethylbenzoyl)-6-methoxy-quinolin-1-ium-4-yl]isonipecotamide Formula: C25H28N3O3+ MolecularWeight: 418.50812

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C2=C[NH+]=C3C=CC(=CC3=C2N4CCC(CC4)C(=O)N)OC

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)C2=C[NH+]=C3C=CC(=CC3=C2N4CCC(CC4)C(=O)N)OC

InChI

InChI=1S/C25H27N3O3/c1-3-16-4-6-17(7-5-16)24(29)21-15-27-22-9-8-19(31-2)14-20(22)23(21)28-12-10-18(11-13-28)25(26)30/h4-9,14-15,18H,3,10-13H2,1-2H3,(H2,26,30)/p+1