1-pyridin-1-ium-1-yl-4-[4-(2-pyridin-1-ium-1-ylethanoyl)phenyl]butan-2-one

Systemtic Name: 1-pyridin-1-ium-1-yl-4-[4-(2-pyridin-1-ium-1-ylethanoyl)phenyl]butan-2-one Openeye Name: 1-pyridin-1-ium-1-yl-4-[4-(2-pyridin-1-ium-1-ylacetyl)phenyl]butan-2-one CAS Name: 4-[4-[1-oxo-2-(1-pyridin-1-iumyl)ethyl]phenyl]-1-(1-pyridin-1-iumyl)-2-butanone IUPAC Name: 1-pyridin-1-ium-1-yl-4-[4-(2-pyridin-1-ium-1-ylacetyl)phenyl]butan-2-one Traditional Name: 1-pyridin-1-ium-1-yl-4-[4-(2-pyridin-1-ium-1-ylacetyl)phenyl]butan-2-one Formula: C22H22N2O2+2 MolecularWeight: 346.42228

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)CC(=O)CCC2=CC=C(C=C2)C(=O)C[N+]3=CC=CC=C3

Isomeric SMILES

C1=CC=[N+](C=C1)CC(=O)CCC2=CC=C(C=C2)C(=O)C[N+]3=CC=CC=C3

InChI

InChI=1S/C22H22N2O2/c25-21(17-23-13-3-1-4-14-23)12-9-19-7-10-20(11-8-19)22(26)18-24-15-5-2-6-16-24/h1-8,10-11,13-16H,9,12,17-18H2/q+2