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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=[N+](C=C1)CC(=O)C2=C(N(C(=C2)C)CCC3=CC=C(C=C3)OC)C

Isomeric SMILES

CCCC1=CC=[N+](C=C1)CC(=O)C2=C(N(C(=C2)C)CCC3=CC=C(C=C3)OC)C

InChI

InChI=1S/C25H31N2O2/c1-5-6-21-11-14-26(15-12-21)18-25(28)24-17-19(2)27(20(24)3)16-13-22-7-9-23(29-4)10-8-22/h7-12,14-15,17H,5-6,13,16,18H2,1-4H3/q+1