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

Systemtic Name: 1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethanone Openeye Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(m-tolyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(3-methylphenyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(m-tolyl)piperazin-1-ium-1-yl]ethanone Formula: C21H28N3O2+ MolecularWeight: 354.46592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CC[NH+](CC2)CC(=O)C3=C(C(=C(N3)C)C(=O)C)C

Isomeric SMILES

CC1=CC(=CC=C1)N2CC[NH+](CC2)CC(=O)C3=C(C(=C(N3)C)C(=O)C)C

InChI

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