1-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-pentan-3-ylpyridin-1-ium-1-yl)ethanone

Systemtic Name: 1-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-pentan-3-ylpyridin-1-ium-1-yl)ethanone Openeye Name: 2-[4-(1-ethylpropyl)pyridin-1-ium-1-yl]-1-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]ethanone CAS Name: 1-[1-(4-methoxyphenyl)-2,5-dimethyl-3-pyrrolyl]-2-(4-pentan-3-yl-1-pyridin-1-iumyl)ethanone IUPAC Name: 1-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-(4-pentan-3-ylpyridin-1-ium-1-yl)ethanone Traditional Name: 2-[4-(1-ethylpropyl)pyridin-1-ium-1-yl]-1-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]ethanone Formula: C25H31N2O2+ MolecularWeight: 391.52584

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=CC=[N+](C=C1)CC(=O)C2=C(N(C(=C2)C)C3=CC=C(C=C3)OC)C

Isomeric SMILES

CCC(CC)C1=CC=[N+](C=C1)CC(=O)C2=C(N(C(=C2)C)C3=CC=C(C=C3)OC)C

InChI

InChI=1S/C25H31N2O2/c1-6-20(7-2)21-12-14-26(15-13-21)17-25(28)24-16-18(3)27(19(24)4)22-8-10-23(29-5)11-9-22/h8-16,20H,6-7,17H2,1-5H3/q+1