1-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]-N-(3-oxidanylpropyl)pyridin-1-ium-4-carboxamide

Systemtic Name: 1-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]-N-(3-oxidanylpropyl)pyridin-1-ium-4-carboxamide Openeye Name: N-(3-hydroxypropyl)-1-[2-(4-methoxyphenyl)-2-oxo-ethyl]pyridin-1-ium-4-carboxamide CAS Name: N-(3-hydroxypropyl)-1-[2-(4-methoxyphenyl)-2-oxoethyl]-4-pyridin-1-iumcarboxamide IUPAC Name: N-(3-hydroxypropyl)-1-[2-(4-methoxyphenyl)-2-oxoethyl]pyridin-1-ium-4-carboxamide Traditional Name: N-(3-hydroxypropyl)-1-[2-keto-2-(4-methoxyphenyl)ethyl]pyridin-1-ium-4-carboxamide Formula: C18H21N2O4+ MolecularWeight: 329.37034

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C[N+]2=CC=C(C=C2)C(=O)NCCCO

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C[N+]2=CC=C(C=C2)C(=O)NCCCO

InChI

InChI=1S/C18H20N2O4/c1-24-16-5-3-14(4-6-16)17(22)13-20-10-7-15(8-11-20)18(23)19-9-2-12-21/h3-8,10-11,21H,2,9,12-13H2,1H3/p+1