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

Systemtic Name: (2S)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)propan-1-one Openeye Name: (2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)propan-1-one CAS Name: (2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(4-methyl-1-piperazine-1,4-diiumyl)-1-propanone IUPAC Name: (2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)propan-1-one Traditional Name: (2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)propan-1-one Formula: C16H27N3O2+2 MolecularWeight: 293.40448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O2/c1-10-14(13(4)20)11(2)17-15(10)16(21)12(3)19-8-6-18(5)7-9-19/h12,17H,6-9H2,1-5H3/p+2/t12-/m0/s1