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

Systemtic Name: 1-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]-N-(3-oxidanylpropyl)pyridin-1-ium-4-carboxamide bromide Openeye Name: 1-[2-(4-chlorophenyl)-2-oxo-ethyl]-N-(3-hydroxypropyl)pyridin-1-ium-4-carboxamide bromide CAS Name: 1-[2-(4-chlorophenyl)-2-oxoethyl]-N-(3-hydroxypropyl)-4-pyridin-1-iumcarboxamide bromide IUPAC Name: 1-[2-(4-chlorophenyl)-2-oxoethyl]-N-(3-hydroxypropyl)pyridin-1-ium-4-carboxamide bromide Traditional Name: 1-[2-(4-chlorophenyl)-2-keto-ethyl]-N-(3-hydroxypropyl)pyridin-1-ium-4-carboxamide bromide Formula: C17H18BrClN2O3 MolecularWeight: 413.69342

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)C[N+]2=CC=C(C=C2)C(=O)NCCCO)Cl.[Br-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)C[N+]2=CC=C(C=C2)C(=O)NCCCO)Cl.[Br-]

InChI

InChI=1S/C17H17ClN2O3.BrH/c18-15-4-2-13(3-5-15)16(22)12-20-9-6-14(7-10-20)17(23)19-8-1-11-21;/h2-7,9-10,21H,1,8,11-12H2;1H