N-(4-methoxyphenyl)-2-(phenethylamino)pyridin-1-ium-3-carboxamide

Systemtic Name: N-(4-methoxyphenyl)-2-(phenethylamino)pyridin-1-ium-3-carboxamide Openeye Name: N-(4-methoxyphenyl)-2-(phenethylamino)pyridin-1-ium-3-carboxamide CAS Name: N-(4-methoxyphenyl)-2-(phenethylamino)-3-pyridin-1-iumcarboxamide IUPAC Name: N-(4-methoxyphenyl)-2-(phenethylamino)pyridin-1-ium-3-carboxamide Traditional Name: N-(4-methoxyphenyl)-2-(phenethylamino)pyridin-1-ium-3-carboxamide Formula: C21H22N3O2+ MolecularWeight: 348.41828

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C2=C([NH+]=CC=C2)NCCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C2=C([NH+]=CC=C2)NCCC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O2/c1-26-18-11-9-17(10-12-18)24-21(25)19-8-5-14-22-20(19)23-15-13-16-6-3-2-4-7-16/h2-12,14H,13,15H2,1H3,(H,22,23)(H,24,25)/p+1