3,3-dimethyl-1-pyridin-1-ium-1-yl-butan-2-one chloride

Systemtic Name: 3,3-dimethyl-1-pyridin-1-ium-1-yl-butan-2-one chloride Openeye Name: 3,3-dimethyl-1-pyridin-1-ium-1-yl-butan-2-one chloride CAS Name: 3,3-dimethyl-1-(1-pyridin-1-iumyl)-2-butanone chloride IUPAC Name: 3,3-dimethyl-1-pyridin-1-ium-1-ylbutan-2-one chloride Traditional Name: 3,3-dimethyl-1-pyridin-1-ium-1-yl-butan-2-one chloride Formula: C11H16ClNO MolecularWeight: 213.70384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16NO.ClH/c1-11(2,3)10(13)9-12-7-5-4-6-8-12;/h4-8H,9H2,1-3H3;1H/q+1;/p-1