1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-(3-ethanoylpyridin-1-ium-1-yl)ethanone

Systemtic Name: 1-(2,5-dimethyl-1-phenethyl-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-phenethyl-pyrrol-3-yl)ethanone CAS Name: 2-(3-acetyl-1-pyridin-1-iumyl)-1-(2,5-dimethyl-1-phenethyl-3-pyrrolyl)ethanone IUPAC Name: 2-(3-acetylpyridin-1-ium-1-yl)-1-(2,5-dimethyl-1-phenethylpyrrol-3-yl)ethanone Traditional Name: 2-(3-acetylpyridin-1-ium-1-yl)-1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)ethanone Formula: C23H25N2O2+ MolecularWeight: 361.4568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)C[N+]3=CC=CC(=C3)C(=O)C

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)C[N+]3=CC=CC(=C3)C(=O)C

InChI

InChI=1S/C23H25N2O2/c1-17-14-22(18(2)25(17)13-11-20-8-5-4-6-9-20)23(27)16-24-12-7-10-21(15-24)19(3)26/h4-10,12,14-15H,11,13,16H2,1-3H3/q+1