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

Systemtic Name: 1-[2,5-dimethyl-1-(phenylmethyl)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-benzyl-2,5-dimethyl-pyrrol-3-yl)ethanone CAS Name: 2-[4-(4-acetylphenyl)-1-piperazin-1-iumyl]-1-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]ethanone IUPAC Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-1-(1-benzyl-2,5-dimethylpyrrol-3-yl)ethanone Traditional Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-1-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)ethanone Formula: C27H32N3O2+ MolecularWeight: 430.56188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)C(=O)C

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)C(=O)C

InChI

InChI=1S/C27H31N3O2/c1-20-17-26(21(2)30(20)18-23-7-5-4-6-8-23)27(32)19-28-13-15-29(16-14-28)25-11-9-24(10-12-25)22(3)31/h4-12,17H,13-16,18-19H2,1-3H3/p+1