4-[(2S)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl]piperazin-4-ium-2-one

Systemtic Name: 4-[(2S)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl]piperazin-4-ium-2-one Openeye Name: 4-[(1S)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl]piperazin-4-ium-2-one CAS Name: 4-[(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]-2-piperazin-4-iumone IUPAC Name: 4-[(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]piperazin-4-ium-2-one Traditional Name: 4-[(1S)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-1-methyl-ethyl]piperazin-4-ium-2-one Formula: C15H22N3O3+ MolecularWeight: 292.35348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)C(C)[NH+]2CCNC(=O)C2

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)[C@H](C)[NH+]2CCNC(=O)C2

InChI

InChI=1S/C15H21N3O3/c1-8-13(11(4)19)9(2)17-14(8)15(21)10(3)18-6-5-16-12(20)7-18/h10,17H,5-7H2,1-4H3,(H,16,20)/p+1/t10-/m0/s1