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

Systemtic Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-(3-oxidanylpyridin-1-ium-1-yl)ethanone Openeye Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-(3-hydroxypyridin-1-ium-1-yl)ethanone CAS Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-(3-hydroxy-1-pyridin-1-iumyl)ethanone IUPAC Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-(3-hydroxypyridin-1-ium-1-yl)ethanone Traditional Name: 1-(2,5-dimethyl-1-piperonyl-pyrrol-3-yl)-2-(3-hydroxypyridin-1-ium-1-yl)ethanone Formula: C21H21N2O4+ MolecularWeight: 365.40244

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O4/c1-14-8-18(19(25)12-22-7-3-4-17(24)11-22)15(2)23(14)10-16-5-6-20-21(9-16)27-13-26-20/h3-9,11H,10,12-13H2,1-2H3/p+1