1-[2-(4-ethoxyphenyl)-2-oxidanylidene-ethyl]-N-(2-hydroxyethyl)pyridin-1-ium-4-carboxamide bromide

Systemtic Name: 1-[2-(4-ethoxyphenyl)-2-oxidanylidene-ethyl]-N-(2-hydroxyethyl)pyridin-1-ium-4-carboxamide bromide Openeye Name: 1-[2-(4-ethoxyphenyl)-2-oxo-ethyl]-N-(2-hydroxyethyl)pyridin-1-ium-4-carboxamide bromide CAS Name: 1-[2-(4-ethoxyphenyl)-2-oxoethyl]-N-(2-hydroxyethyl)-4-pyridin-1-iumcarboxamide bromide IUPAC Name: 1-[2-(4-ethoxyphenyl)-2-oxoethyl]-N-(2-hydroxyethyl)pyridin-1-ium-4-carboxamide bromide Traditional Name: N-(2-hydroxyethyl)-1-(2-keto-2-p-phenetyl-ethyl)pyridin-1-ium-4-carboxamide bromide Formula: C18H21BrN2O4 MolecularWeight: 409.27434

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)C[N+]2=CC=C(C=C2)C(=O)NCCO.[Br-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)C[N+]2=CC=C(C=C2)C(=O)NCCO.[Br-]

InChI

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