1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethanone

Systemtic Name: 1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-(2,5-dimethyl-1-phenethyl-3-pyrrolyl)-2-[4-(2-pyridinyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(2,5-dimethyl-1-phenethylpyrrol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethanone Traditional Name: 1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]ethanone Formula: C25H31N4O+ MolecularWeight: 403.53984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4O/c1-20-18-23(21(2)29(20)13-11-22-8-4-3-5-9-22)24(30)19-27-14-16-28(17-15-27)25-10-6-7-12-26-25/h3-10,12,18H,11,13-17,19H2,1-2H3/p+1