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

Systemtic Name: 1-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-3-pyrrolyl]-2-[4-(2-pyridinyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethanone Traditional Name: 1-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]ethanone Formula: C26H33N4O2+ MolecularWeight: 433.56582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=C(C=C2)OC)C)C(=O)C[NH+]3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=C(C=C2)OC)C)C(=O)C[NH+]3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C26H32N4O2/c1-20-18-24(21(2)30(20)13-11-22-7-9-23(32-3)10-8-22)25(31)19-28-14-16-29(17-15-28)26-6-4-5-12-27-26/h4-10,12,18H,11,13-17,19H2,1-3H3/p+1