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

Systemtic Name: 1-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanone Openeye Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-1-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)ethanone CAS Name: 2-(4-benzoyl-1-piperazin-1-iumyl)-1-(2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)ethanone IUPAC Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone Traditional Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-1-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)ethanone Formula: C22H30N3O2+ MolecularWeight: 368.4925

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)C)C)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(N1C(C)C)C)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H29N3O2/c1-16(2)25-17(3)14-20(18(25)4)21(26)15-23-10-12-24(13-11-23)22(27)19-8-6-5-7-9-19/h5-9,14,16H,10-13,15H2,1-4H3/p+1