1-[1-(3-methylbut-2-enyl)pyridin-1-ium-3-yl]butan-1-one

Systemtic Name: 1-[1-(3-methylbut-2-enyl)pyridin-1-ium-3-yl]butan-1-one Openeye Name: 1-[1-(3-methylbut-2-enyl)pyridin-1-ium-3-yl]butan-1-one CAS Name: 1-[1-(3-methylbut-2-enyl)-3-pyridin-1-iumyl]-1-butanone IUPAC Name: 1-[1-(3-methylbut-2-enyl)pyridin-1-ium-3-yl]butan-1-one Traditional Name: 1-[1-(3-methylbut-2-enyl)pyridin-1-ium-3-yl]butan-1-one Formula: C14H20NO+ MolecularWeight: 218.3147

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20NO/c1-4-6-14(16)13-7-5-9-15(11-13)10-8-12(2)3/h5,7-9,11H,4,6,10H2,1-3H3/q+1