1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-(4-ethylpyridin-1-ium-1-yl)ethanone

Systemtic Name: 1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-(4-ethylpyridin-1-ium-1-yl)ethanone Openeye Name: 1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-(4-ethylpyridin-1-ium-1-yl)ethanone CAS Name: 1-(2,5-dimethyl-1-phenethyl-3-pyrrolyl)-2-(4-ethyl-1-pyridin-1-iumyl)ethanone IUPAC Name: 1-(2,5-dimethyl-1-phenethylpyrrol-3-yl)-2-(4-ethylpyridin-1-ium-1-yl)ethanone Traditional Name: 1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-(4-ethylpyridin-1-ium-1-yl)ethanone Formula: C23H27N2O+ MolecularWeight: 347.47328

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=[N+](C=C1)CC(=O)C2=C(N(C(=C2)C)CCC3=CC=CC=C3)C

Isomeric SMILES

CCC1=CC=[N+](C=C1)CC(=O)C2=C(N(C(=C2)C)CCC3=CC=CC=C3)C

InChI

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