(2S)-2-(4-cyclopropylcarbonylpiperazin-1-ium-1-yl)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)propan-1-one

Systemtic Name: (2S)-2-(4-cyclopropylcarbonylpiperazin-1-ium-1-yl)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)propan-1-one Openeye Name: (2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]propan-1-one CAS Name: (2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-[cyclopropyl(oxo)methyl]-1-piperazin-1-iumyl]-1-propanone IUPAC Name: (2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]propan-1-one Traditional Name: (2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]propan-1-one Formula: C19H28N3O3+ MolecularWeight: 346.44392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)C(C)[NH+]2CCN(CC2)C(=O)C3CC3

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)[C@H](C)[NH+]2CCN(CC2)C(=O)C3CC3

InChI

InChI=1S/C19H27N3O3/c1-11-16(14(4)23)12(2)20-17(11)18(24)13(3)21-7-9-22(10-8-21)19(25)15-5-6-15/h13,15,20H,5-10H2,1-4H3/p+1/t13-/m0/s1