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

Systemtic Name: 2-(4-cyclopropylcarbonylpiperazin-1-ium-1-yl)-1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]ethanone Openeye Name: 2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-1-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]ethanone CAS Name: 2-[4-[cyclopropyl(oxo)methyl]-1-piperazin-1-iumyl]-1-[2,5-dimethyl-1-(4-methylphenyl)-3-pyrrolyl]ethanone IUPAC Name: 2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]ethanone Traditional Name: 2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-1-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]ethanone Formula: C23H30N3O2+ MolecularWeight: 380.5032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)C[NH+]3CCN(CC3)C(=O)C4CC4)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)C[NH+]3CCN(CC3)C(=O)C4CC4)C

InChI

InChI=1S/C23H29N3O2/c1-16-4-8-20(9-5-16)26-17(2)14-21(18(26)3)22(27)15-24-10-12-25(13-11-24)23(28)19-6-7-19/h4-5,8-9,14,19H,6-7,10-13,15H2,1-3H3/p+1