1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-(5-ethyl-2-methyl-pyridin-1-ium-1-yl)ethanone

Systemtic Name: 1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-(5-ethyl-2-methyl-pyridin-1-ium-1-yl)ethanone Openeye Name: 1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-(5-ethyl-2-methyl-pyridin-1-ium-1-yl)ethanone CAS Name: 1-(2,5-dimethyl-1-phenethyl-3-pyrrolyl)-2-(5-ethyl-2-methyl-1-pyridin-1-iumyl)ethanone IUPAC Name: 1-(2,5-dimethyl-1-phenethylpyrrol-3-yl)-2-(5-ethyl-2-methylpyridin-1-ium-1-yl)ethanone Traditional Name: 1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-(5-ethyl-2-methyl-pyridin-1-ium-1-yl)ethanone Formula: C24H29N2O+ MolecularWeight: 361.49986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N2O/c1-5-21-12-11-18(2)25(16-21)17-24(27)23-15-19(3)26(20(23)4)14-13-22-9-7-6-8-10-22/h6-12,15-16H,5,13-14,17H2,1-4H3/q+1