1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-(3-ethanoylpyridin-1-ium-1-yl)ethanone

Systemtic Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-(3-ethanoylpyridin-1-ium-1-yl)ethanone Openeye Name: 2-(3-acetylpyridin-1-ium-1-yl)-1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]ethanone CAS Name: 2-(3-acetyl-1-pyridin-1-iumyl)-1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-3-pyrrolyl]ethanone IUPAC Name: 2-(3-acetylpyridin-1-ium-1-yl)-1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]ethanone Traditional Name: 2-(3-acetylpyridin-1-ium-1-yl)-1-(2,5-dimethyl-1-piperonyl-pyrrol-3-yl)ethanone Formula: C23H23N2O4+ MolecularWeight: 391.43972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)C[N+]4=CC=CC(=C4)C(=O)C

Isomeric SMILES

CC1=CC(=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)C[N+]4=CC=CC(=C4)C(=O)C

InChI

InChI=1S/C23H23N2O4/c1-15-9-20(21(27)13-24-8-4-5-19(12-24)17(3)26)16(2)25(15)11-18-6-7-22-23(10-18)29-14-28-22/h4-10,12H,11,13-14H2,1-3H3/q+1