ethyl 2,4-dimethyl-5-[(2S)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)propanoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,4-dimethyl-5-[(2S)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)propanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-[(2S)-2-(3-oxopiperazin-1-ium-1-yl)propanoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[(2S)-1-oxo-2-(3-oxo-1-piperazin-1-iumyl)propyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-[(2S)-2-(3-oxopiperazin-1-ium-1-yl)propanoyl]-1H-pyrrole-3-carboxylate Traditional Name: 5-[(2S)-2-(3-ketopiperazin-1-ium-1-yl)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C16H24N3O4+ MolecularWeight: 322.37946

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)[NH+]2CCNC(=O)C2)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)[C@H](C)[NH+]2CCNC(=O)C2)C

InChI

InChI=1S/C16H23N3O4/c1-5-23-16(22)13-9(2)14(18-10(13)3)15(21)11(4)19-7-6-17-12(20)8-19/h11,18H,5-8H2,1-4H3,(H,17,20)/p+1/t11-/m0/s1