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

Systemtic Name: 1-[6-ethoxy-3-(4-methylphenyl)carbonyl-quinolin-1-ium-4-yl]piperidine-4-carboxamide Openeye Name: 1-[6-ethoxy-3-(4-methylbenzoyl)quinolin-1-ium-4-yl]piperidine-4-carboxamide CAS Name: 1-[6-ethoxy-3-[(4-methylphenyl)-oxomethyl]-4-quinolin-1-iumyl]-4-piperidinecarboxamide IUPAC Name: 1-[6-ethoxy-3-(4-methylbenzoyl)quinolin-1-ium-4-yl]piperidine-4-carboxamide Traditional Name: 1-(6-ethoxy-3-p-toluoyl-quinolin-1-ium-4-yl)isonipecotamide Formula: C25H28N3O3+ MolecularWeight: 418.50812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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