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

Systemtic Name: 1-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]-N-(3-oxidanylpropyl)pyridin-1-ium-4-carboxamide bromide Openeye Name: N-(3-hydroxypropyl)-1-[2-oxo-2-(p-tolyl)ethyl]pyridin-1-ium-4-carboxamide bromide CAS Name: N-(3-hydroxypropyl)-1-[2-(4-methylphenyl)-2-oxoethyl]-4-pyridin-1-iumcarboxamide bromide IUPAC Name: N-(3-hydroxypropyl)-1-[2-(4-methylphenyl)-2-oxoethyl]pyridin-1-ium-4-carboxamide bromide Traditional Name: N-(3-hydroxypropyl)-1-[2-keto-2-(p-tolyl)ethyl]pyridin-1-ium-4-carboxamide bromide Formula: C18H21BrN2O3 MolecularWeight: 393.27494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C[N+]2=CC=C(C=C2)C(=O)NCCCO.[Br-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C[N+]2=CC=C(C=C2)C(=O)NCCCO.[Br-]

InChI

InChI=1S/C18H20N2O3.BrH/c1-14-3-5-15(6-4-14)17(22)13-20-10-7-16(8-11-20)18(23)19-9-2-12-21;/h3-8,10-11,21H,2,9,12-13H2,1H3;1H