1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl]-N-(2-hydroxyethyl)pyridin-1-ium-4-carboxamide bromide

Systemtic Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl]-N-(2-hydroxyethyl)pyridin-1-ium-4-carboxamide bromide Openeye Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-ethyl]-N-(2-hydroxyethyl)pyridin-1-ium-4-carboxamide bromide CAS Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-N-(2-hydroxyethyl)-4-pyridin-1-iumcarboxamide bromide IUPAC Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-N-(2-hydroxyethyl)pyridin-1-ium-4-carboxamide bromide Traditional Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-keto-ethyl]-N-(2-hydroxyethyl)pyridin-1-ium-4-carboxamide bromide Formula: C18H19BrN2O5 MolecularWeight: 423.25786

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)C[N+]3=CC=C(C=C3)C(=O)NCCO.[Br-]

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)C[N+]3=CC=C(C=C3)C(=O)NCCO.[Br-]

InChI

InChI=1S/C18H18N2O5.BrH/c21-8-5-19-18(23)13-3-6-20(7-4-13)12-15(22)14-1-2-16-17(11-14)25-10-9-24-16;/h1-4,6-7,11,21H,5,8-10,12H2;1H