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

Systemtic Name: 1-[1-[(2R)-1-methoxypropan-2-yl]-2,5-dimethyl-pyrrol-3-yl]-2-(3-oxidanylpyridin-1-ium-1-yl)ethanone Openeye Name: 2-(3-hydroxypyridin-1-ium-1-yl)-1-[1-[(1R)-2-methoxy-1-methyl-ethyl]-2,5-dimethyl-pyrrol-3-yl]ethanone CAS Name: 2-(3-hydroxy-1-pyridin-1-iumyl)-1-[1-[(2R)-1-methoxypropan-2-yl]-2,5-dimethyl-3-pyrrolyl]ethanone IUPAC Name: 2-(3-hydroxypyridin-1-ium-1-yl)-1-[1-[(2R)-1-methoxypropan-2-yl]-2,5-dimethylpyrrol-3-yl]ethanone Traditional Name: 2-(3-hydroxypyridin-1-ium-1-yl)-1-[1-[(1R)-2-methoxy-1-methyl-ethyl]-2,5-dimethyl-pyrrol-3-yl]ethanone Formula: C17H23N2O3+ MolecularWeight: 303.37612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)COC)C)C(=O)C[N+]2=CC=CC(=C2)O

Isomeric SMILES

CC1=CC(=C(N1[C@H](C)COC)C)C(=O)C[N+]2=CC=CC(=C2)O

InChI

InChI=1S/C17H22N2O3/c1-12-8-16(14(3)19(12)13(2)11-22-4)17(21)10-18-7-5-6-15(20)9-18/h5-9,13H,10-11H2,1-4H3/p+1/t13-/m1/s1