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

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

Systemtic Name:1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-(2,3-dimethylpyridin-1-ium-1-yl)ethanone
Openeye Name:1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-(2,3-dimethylpyridin-1-ium-1-yl)ethanone
CAS Name:1-(2,5-dimethyl-1-phenethyl-3-pyrrolyl)-2-(2,3-dimethyl-1-pyridin-1-iumyl)ethanone
IUPAC Name:1-(2,5-dimethyl-1-phenethylpyrrol-3-yl)-2-(2,3-dimethylpyridin-1-ium-1-yl)ethanone
Traditional Name:1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-(2,3-dimethylpyridin-1-ium-1-yl)ethanone
Formula: C23H27N2O+
MolecularWeight: 347.47328
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([N+](=CC=C1)CC(=O)C2=C(N(C(=C2)C)CCC3=CC=CC=C3)C)C


Isomeric SMILES

CC1=C([N+](=CC=C1)CC(=O)C2=C(N(C(=C2)C)CCC3=CC=CC=C3)C)C


InChI

InChI=1S/C23H27N2O/c1-17-9-8-13-24(19(17)3)16-23(26)22-15-18(2)25(20(22)4)14-12-21-10-6-5-7-11-21/h5-11,13,15H,12,14,16H2,1-4H3/q+1


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