1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-[4-(phenylcarbonyl)pyridin-1-ium-1-yl]ethanone

Systemtic Name: 1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-[4-(phenylcarbonyl)pyridin-1-ium-1-yl]ethanone Openeye Name: 2-(4-benzoylpyridin-1-ium-1-yl)-1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)ethanone CAS Name: 2-(4-benzoyl-1-pyridin-1-iumyl)-1-(2,5-dimethyl-1-phenethyl-3-pyrrolyl)ethanone IUPAC Name: 2-(4-benzoylpyridin-1-ium-1-yl)-1-(2,5-dimethyl-1-phenethylpyrrol-3-yl)ethanone Traditional Name: 2-(4-benzoylpyridin-1-ium-1-yl)-1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)ethanone Formula: C28H27N2O2+ MolecularWeight: 423.52618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)C[N+]3=CC=C(C=C3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)C[N+]3=CC=C(C=C3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H27N2O2/c1-21-19-26(22(2)30(21)18-13-23-9-5-3-6-10-23)27(31)20-29-16-14-25(15-17-29)28(32)24-11-7-4-8-12-24/h3-12,14-17,19H,13,18,20H2,1-2H3/q+1