1-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]ethanone Openeye Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-1-(1-isopentyl-2,5-dimethyl-pyrrol-3-yl)ethanone CAS Name: 2-[4-(4-acetylphenyl)-1-piperazin-1-iumyl]-1-[2,5-dimethyl-1-(3-methylbutyl)-3-pyrrolyl]ethanone IUPAC Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-1-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]ethanone Traditional Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-1-(1-isoamyl-2,5-dimethyl-pyrrol-3-yl)ethanone Formula: C25H36N3O2+ MolecularWeight: 410.57224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC(C)C)C)C(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CC1=CC(=C(N1CCC(C)C)C)C(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C25H35N3O2/c1-18(2)10-11-28-19(3)16-24(20(28)4)25(30)17-26-12-14-27(15-13-26)23-8-6-22(7-9-23)21(5)29/h6-9,16,18H,10-15,17H2,1-5H3/p+1