1-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-(3-ethanoylpyridin-1-ium-1-yl)ethanone

Systemtic Name: 1-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]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-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrrol-3-yl]ethanone CAS Name: 2-(3-acetyl-1-pyridin-1-iumyl)-1-[2,5-dimethyl-1-[[(2R)-2-oxolanyl]methyl]-3-pyrrolyl]ethanone IUPAC Name: 2-(3-acetylpyridin-1-ium-1-yl)-1-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]ethanone Traditional Name: 2-(3-acetylpyridin-1-ium-1-yl)-1-[2,5-dimethyl-1-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrrol-3-yl]ethanone Formula: C20H25N2O3+ MolecularWeight: 341.4241

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2CCCO2)C)C(=O)C[N+]3=CC=CC(=C3)C(=O)C

Isomeric SMILES

CC1=CC(=C(N1C[C@H]2CCCO2)C)C(=O)C[N+]3=CC=CC(=C3)C(=O)C

InChI

InChI=1S/C20H25N2O3/c1-14-10-19(15(2)22(14)12-18-7-5-9-25-18)20(24)13-21-8-4-6-17(11-21)16(3)23/h4,6,8,10-11,18H,5,7,9,12-13H2,1-3H3/q+1/t18-/m1/s1