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

Systemtic Name: 1-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]-2-[4-(phenylmethyl)pyridin-1-ium-1-yl]ethanone Openeye Name: 2-(4-benzylpyridin-1-ium-1-yl)-1-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]ethanone CAS Name: 1-[1-(2-methoxyethyl)-2,5-dimethyl-3-pyrrolyl]-2-[4-(phenylmethyl)-1-pyridin-1-iumyl]ethanone IUPAC Name: 2-(4-benzylpyridin-1-ium-1-yl)-1-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]ethanone Traditional Name: 2-(4-benzylpyridin-1-ium-1-yl)-1-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]ethanone Formula: C23H27N2O2+ MolecularWeight: 363.47268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCOC)C)C(=O)C[N+]2=CC=C(C=C2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(N1CCOC)C)C(=O)C[N+]2=CC=C(C=C2)CC3=CC=CC=C3

InChI

InChI=1S/C23H27N2O2/c1-18-15-22(19(2)25(18)13-14-27-3)23(26)17-24-11-9-21(10-12-24)16-20-7-5-4-6-8-20/h4-12,15H,13-14,16-17H2,1-3H3/q+1