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

Systemtic Name: N-(2-hydroxyethyl)-1-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]pyridin-1-ium-4-carboxamide Openeye Name: N-(2-hydroxyethyl)-1-[2-oxo-2-(p-tolyl)ethyl]pyridin-1-ium-4-carboxamide CAS Name: N-(2-hydroxyethyl)-1-[2-(4-methylphenyl)-2-oxoethyl]-4-pyridin-1-iumcarboxamide IUPAC Name: N-(2-hydroxyethyl)-1-[2-(4-methylphenyl)-2-oxoethyl]pyridin-1-ium-4-carboxamide Traditional Name: N-(2-hydroxyethyl)-1-[2-keto-2-(p-tolyl)ethyl]pyridin-1-ium-4-carboxamide Formula: C17H19N2O3+ MolecularWeight: 299.34436

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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)NCCO

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C[N+]2=CC=C(C=C2)C(=O)NCCO

InChI

InChI=1S/C17H18N2O3/c1-13-2-4-14(5-3-13)16(21)12-19-9-6-15(7-10-19)17(22)18-8-11-20/h2-7,9-10,20H,8,11-12H2,1H3/p+1