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

Systemtic Name: 1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanone Openeye Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(4-benzoylpiperazin-1-ium-1-yl)ethanone CAS Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(4-benzoyl-1-piperazin-1-iumyl)ethanone IUPAC Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(4-benzoylpiperazin-1-ium-1-yl)ethanone Traditional Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(4-benzoylpiperazin-1-ium-1-yl)ethanone Formula: C21H26N3O3+ MolecularWeight: 368.44944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H25N3O3/c1-14-19(16(3)25)15(2)22-20(14)18(26)13-23-9-11-24(12-10-23)21(27)17-7-5-4-6-8-17/h4-8,22H,9-13H2,1-3H3/p+1