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

Systemtic Name: 1-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-(3-oxidanylpyridin-1-ium-1-yl)ethanone Openeye Name: 1-[2,5-dimethyl-1-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrrol-3-yl]-2-(3-hydroxypyridin-1-ium-1-yl)ethanone CAS Name: 1-[2,5-dimethyl-1-[[(2R)-2-oxolanyl]methyl]-3-pyrrolyl]-2-(3-hydroxy-1-pyridin-1-iumyl)ethanone IUPAC Name: 1-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-(3-hydroxypyridin-1-ium-1-yl)ethanone Traditional Name: 1-[2,5-dimethyl-1-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrrol-3-yl]-2-(3-hydroxypyridin-1-ium-1-yl)ethanone Formula: C18H23N2O3+ MolecularWeight: 315.38682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O3/c1-13-9-17(14(2)20(13)11-16-6-4-8-23-16)18(22)12-19-7-3-5-15(21)10-19/h3,5,7,9-10,16H,4,6,8,11-12H2,1-2H3/p+1/t16-/m1/s1