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

Systemtic Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-(5-ethyl-2-methyl-pyridin-1-ium-1-yl)ethanone Openeye Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-(5-ethyl-2-methyl-pyridin-1-ium-1-yl)ethanone CAS Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-(5-ethyl-2-methyl-1-pyridin-1-iumyl)ethanone IUPAC Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-(5-ethyl-2-methylpyridin-1-ium-1-yl)ethanone Traditional Name: 1-(2,5-dimethyl-1-piperonyl-pyrrol-3-yl)-2-(5-ethyl-2-methyl-pyridin-1-ium-1-yl)ethanone Formula: C24H27N2O3+ MolecularWeight: 391.48278

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C[N+](=C(C=C1)C)CC(=O)C2=C(N(C(=C2)C)CC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CCC1=C[N+](=C(C=C1)C)CC(=O)C2=C(N(C(=C2)C)CC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C24H27N2O3/c1-5-19-7-6-16(2)25(12-19)14-22(27)21-10-17(3)26(18(21)4)13-20-8-9-23-24(11-20)29-15-28-23/h6-12H,5,13-15H2,1-4H3/q+1