1-[2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 1-[2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-[2-keto-2-(2,4,5-trimethylphenyl)ethyl]pyridin-1-ium-3-carboxamide Formula: C17H19N2O2+ MolecularWeight: 283.34496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)C[N+]2=CC=CC(=C2)C(=O)N)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)C[N+]2=CC=CC(=C2)C(=O)N)C)C

InChI

InChI=1S/C17H18N2O2/c1-11-7-13(3)15(8-12(11)2)16(20)10-19-6-4-5-14(9-19)17(18)21/h4-9H,10H2,1-3H3,(H-,18,21)/p+1