N-[2-(3,4-diethoxyphenyl)ethyl]-2-morpholin-4-yl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-morpholin-4-yl-pyridin-1-ium-3-carboxamide Openeye Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-morpholino-pyridin-1-ium-3-carboxamide CAS Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-(4-morpholinyl)-3-pyridin-1-iumcarboxamide IUPAC Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-morpholin-4-ylpyridin-1-ium-3-carboxamide Traditional Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-morpholino-pyridin-1-ium-3-carboxamide Formula: C22H30N3O4+ MolecularWeight: 400.4913

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCNC(=O)C2=C([NH+]=CC=C2)N3CCOCC3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCNC(=O)C2=C([NH+]=CC=C2)N3CCOCC3)OCC

InChI

InChI=1S/C22H29N3O4/c1-3-28-19-8-7-17(16-20(19)29-4-2)9-11-24-22(26)18-6-5-10-23-21(18)25-12-14-27-15-13-25/h5-8,10,16H,3-4,9,11-15H2,1-2H3,(H,24,26)/p+1