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

Systemtic Name: 1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanone Openeye Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)ethanone CAS Name: 2-(4-benzoyl-1-piperazin-1-iumyl)-1-(1-ethyl-2,5-dimethyl-3-pyrrolyl)ethanone IUPAC Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone Traditional Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)ethanone Formula: C21H28N3O2+ MolecularWeight: 354.46592

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3)C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C21H27N3O2/c1-4-24-16(2)14-19(17(24)3)20(25)15-22-10-12-23(13-11-22)21(26)18-8-6-5-7-9-18/h5-9,14H,4,10-13,15H2,1-3H3/p+1