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

Systemtic Name: 1-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-2-(4-ethanoylpiperazin-1-ium-1-yl)ethanone Openeye Name: 2-(4-acetylpiperazin-1-ium-1-yl)-1-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)ethanone CAS Name: 2-(4-acetyl-1-piperazin-1-iumyl)-1-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]ethanone IUPAC Name: 2-(4-acetylpiperazin-1-ium-1-yl)-1-(1-benzyl-2,5-dimethylpyrrol-3-yl)ethanone Traditional Name: 2-(4-acetylpiperazin-1-ium-1-yl)-1-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)ethanone Formula: C21H28N3O2+ MolecularWeight: 354.46592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O2/c1-16-13-20(17(2)24(16)14-19-7-5-4-6-8-19)21(26)15-22-9-11-23(12-10-22)18(3)25/h4-8,13H,9-12,14-15H2,1-3H3/p+1