1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-pentan-3-ylpyridin-1-ium-1-yl)ethanone

Systemtic Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-pentan-3-ylpyridin-1-ium-1-yl)ethanone Openeye Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-[4-(1-ethylpropyl)pyridin-1-ium-1-yl]ethanone CAS Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-(4-pentan-3-yl-1-pyridin-1-iumyl)ethanone IUPAC Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-(4-pentan-3-ylpyridin-1-ium-1-yl)ethanone Traditional Name: 1-(2,5-dimethyl-1-piperonyl-pyrrol-3-yl)-2-[4-(1-ethylpropyl)pyridin-1-ium-1-yl]ethanone Formula: C26H31N2O3+ MolecularWeight: 419.53594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31N2O3/c1-5-21(6-2)22-9-11-27(12-10-22)16-24(29)23-13-18(3)28(19(23)4)15-20-7-8-25-26(14-20)31-17-30-25/h7-14,21H,5-6,15-17H2,1-4H3/q+1