1-(2,4-dimethoxyphenyl)-3-(1-methoxypyridin-1-ium-4-yl)butan-1-one

Systemtic Name: 1-(2,4-dimethoxyphenyl)-3-(1-methoxypyridin-1-ium-4-yl)butan-1-one Openeye Name: 1-(2,4-dimethoxyphenyl)-3-(1-methoxypyridin-1-ium-4-yl)butan-1-one CAS Name: 1-(2,4-dimethoxyphenyl)-3-(1-methoxy-4-pyridin-1-iumyl)-1-butanone IUPAC Name: 1-(2,4-dimethoxyphenyl)-3-(1-methoxypyridin-1-ium-4-yl)butan-1-one Traditional Name: 1-(2,4-dimethoxyphenyl)-3-(1-methoxypyridin-1-ium-4-yl)butan-1-one Formula: C18H22NO4+ MolecularWeight: 316.37158

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)C1=C(C=C(C=C1)OC)OC)C2=CC=[N+](C=C2)OC

Isomeric SMILES

CC(CC(=O)C1=C(C=C(C=C1)OC)OC)C2=CC=[N+](C=C2)OC

InChI

InChI=1S/C18H22NO4/c1-13(14-7-9-19(23-4)10-8-14)11-17(20)16-6-5-15(21-2)12-18(16)22-3/h5-10,12-13H,11H2,1-4H3/q+1