1-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-(3-ethanoylpyridin-1-ium-1-yl)ethanone

Systemtic Name: 1-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-(3-ethanoylpyridin-1-ium-1-yl)ethanone Openeye Name: 2-(3-acetylpyridin-1-ium-1-yl)-1-(2,5-dimethyl-1-propyl-pyrrol-3-yl)ethanone CAS Name: 2-(3-acetyl-1-pyridin-1-iumyl)-1-(2,5-dimethyl-1-propyl-3-pyrrolyl)ethanone IUPAC Name: 2-(3-acetylpyridin-1-ium-1-yl)-1-(2,5-dimethyl-1-propylpyrrol-3-yl)ethanone Traditional Name: 2-(3-acetylpyridin-1-ium-1-yl)-1-(2,5-dimethyl-1-propyl-pyrrol-3-yl)ethanone Formula: C18H23N2O2+ MolecularWeight: 299.38742

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C(=O)C[N+]2=CC=CC(=C2)C(=O)C)C

Isomeric SMILES

CCCN1C(=CC(=C1C)C(=O)C[N+]2=CC=CC(=C2)C(=O)C)C

InChI

InChI=1S/C18H23N2O2/c1-5-8-20-13(2)10-17(14(20)3)18(22)12-19-9-6-7-16(11-19)15(4)21/h6-7,9-11H,5,8,12H2,1-4H3/q+1