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

Systemtic Name: N-(2-hydroxyethyl)-1-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]pyridin-1-ium-4-carboxamide bromide Openeye Name: N-(2-hydroxyethyl)-1-[2-(4-methoxyphenyl)-2-oxo-ethyl]pyridin-1-ium-4-carboxamide bromide CAS Name: N-(2-hydroxyethyl)-1-[2-(4-methoxyphenyl)-2-oxoethyl]-4-pyridin-1-iumcarboxamide bromide IUPAC Name: N-(2-hydroxyethyl)-1-[2-(4-methoxyphenyl)-2-oxoethyl]pyridin-1-ium-4-carboxamide bromide Traditional Name: N-(2-hydroxyethyl)-1-[2-keto-2-(4-methoxyphenyl)ethyl]pyridin-1-ium-4-carboxamide bromide Formula: C17H19BrN2O4 MolecularWeight: 395.24776

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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)NCCO.[Br-]

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C[N+]2=CC=C(C=C2)C(=O)NCCO.[Br-]

InChI

InChI=1S/C17H18N2O4.BrH/c1-23-15-4-2-13(3-5-15)16(21)12-19-9-6-14(7-10-19)17(22)18-8-11-20;/h2-7,9-10,20H,8,11-12H2,1H3;1H