4-pyridin-1-ium-1-yl-1-(2,4,6-trimethylphenyl)butan-1-one

Systemtic Name: 4-pyridin-1-ium-1-yl-1-(2,4,6-trimethylphenyl)butan-1-one Openeye Name: 4-pyridin-1-ium-1-yl-1-(2,4,6-trimethylphenyl)butan-1-one CAS Name: 4-(1-pyridin-1-iumyl)-1-(2,4,6-trimethylphenyl)-1-butanone IUPAC Name: 4-pyridin-1-ium-1-yl-1-(2,4,6-trimethylphenyl)butan-1-one Traditional Name: 1-mesityl-4-pyridin-1-ium-1-yl-butan-1-one Formula: C18H22NO+ MolecularWeight: 268.37338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)CCC[N+]2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)CCC[N+]2=CC=CC=C2)C

InChI

InChI=1S/C18H22NO/c1-14-12-15(2)18(16(3)13-14)17(20)8-7-11-19-9-5-4-6-10-19/h4-6,9-10,12-13H,7-8,11H2,1-3H3/q+1