N-(2-hydroxyethyl)-1-(2-oxidanylidenepropyl)pyridin-1-ium-3-carboxamide bromide

Systemtic Name: N-(2-hydroxyethyl)-1-(2-oxidanylidenepropyl)pyridin-1-ium-3-carboxamide bromide Openeye Name: 1-acetonyl-N-(2-hydroxyethyl)pyridin-1-ium-3-carboxamide bromide CAS Name: N-(2-hydroxyethyl)-1-(2-oxopropyl)-3-pyridin-1-iumcarboxamide bromide IUPAC Name: N-(2-hydroxyethyl)-1-(2-oxopropyl)pyridin-1-ium-3-carboxamide bromide Traditional Name: 1-acetonyl-N-(2-hydroxyethyl)pyridin-1-ium-3-carboxamide bromide Formula: C11H15BrN2O3 MolecularWeight: 303.1524

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C[N+]1=CC=CC(=C1)C(=O)NCCO.[Br-]

Isomeric SMILES

CC(=O)C[N+]1=CC=CC(=C1)C(=O)NCCO.[Br-]

InChI

InChI=1S/C11H14N2O3.BrH/c1-9(15)7-13-5-2-3-10(8-13)11(16)12-4-6-14;/h2-3,5,8,14H,4,6-7H2,1H3;1H