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

Systemtic Name: 1-[2-(3-bromophenyl)-2-oxidanylidene-ethyl]-N-(3-oxidanylpropyl)pyridin-1-ium-4-carboxamide bromide Openeye Name: 1-[2-(3-bromophenyl)-2-oxo-ethyl]-N-(3-hydroxypropyl)pyridin-1-ium-4-carboxamide bromide CAS Name: 1-[2-(3-bromophenyl)-2-oxoethyl]-N-(3-hydroxypropyl)-4-pyridin-1-iumcarboxamide bromide IUPAC Name: 1-[2-(3-bromophenyl)-2-oxoethyl]-N-(3-hydroxypropyl)pyridin-1-ium-4-carboxamide bromide Traditional Name: 1-[2-(3-bromophenyl)-2-keto-ethyl]-N-(3-hydroxypropyl)pyridin-1-ium-4-carboxamide bromide Formula: C17H18Br2N2O3 MolecularWeight: 458.14442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17BrN2O3.BrH/c18-15-4-1-3-14(11-15)16(22)12-20-8-5-13(6-9-20)17(23)19-7-2-10-21;/h1,3-6,8-9,11,21H,2,7,10,12H2;1H