4-(2-oxidanylidenepropyl)pyridin-1-ium-1-carboxamide

Systemtic Name: 4-(2-oxidanylidenepropyl)pyridin-1-ium-1-carboxamide Openeye Name: 4-acetonylpyridin-1-ium-1-carboxamide CAS Name: 4-(2-oxopropyl)-1-pyridin-1-iumcarboxamide IUPAC Name: 4-(2-oxopropyl)pyridin-1-ium-1-carboxamide Traditional Name: 4-acetonylpyridin-1-ium-1-carboxamide Formula: C9H11N2O2+ MolecularWeight: 179.19584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10N2O2/c1-7(12)6-8-2-4-11(5-3-8)9(10)13/h2-5H,6H2,1H3,(H-,10,13)/p+1