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

Systemtic Name: 2-isoquinolin-2-ium-2-yl-1-[1-[(2R)-1-methoxypropan-2-yl]-2,5-dimethyl-pyrrol-3-yl]ethanone Openeye Name: 2-isoquinolin-2-ium-2-yl-1-[1-[(1R)-2-methoxy-1-methyl-ethyl]-2,5-dimethyl-pyrrol-3-yl]ethanone CAS Name: 2-(2-isoquinolin-2-iumyl)-1-[1-[(2R)-1-methoxypropan-2-yl]-2,5-dimethyl-3-pyrrolyl]ethanone IUPAC Name: 2-isoquinolin-2-ium-2-yl-1-[1-[(2R)-1-methoxypropan-2-yl]-2,5-dimethylpyrrol-3-yl]ethanone Traditional Name: 2-isoquinolin-2-ium-2-yl-1-[1-[(1R)-2-methoxy-1-methyl-ethyl]-2,5-dimethyl-pyrrol-3-yl]ethanone Formula: C21H25N2O2+ MolecularWeight: 337.4354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)COC)C)C(=O)C[N+]2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CC1=CC(=C(N1[C@H](C)COC)C)C(=O)C[N+]2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H25N2O2/c1-15-11-20(17(3)23(15)16(2)14-25-4)21(24)13-22-10-9-18-7-5-6-8-19(18)12-22/h5-12,16H,13-14H2,1-4H3/q+1/t16-/m1/s1