[(2R)-1-oxidanylidene-1-[(2-propan-2-yl-1H-pyrazol-2-ium-3-yl)amino]propan-2-yl] 4-ethanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: [(2R)-1-oxidanylidene-1-[(2-propan-2-yl-1H-pyrazol-2-ium-3-yl)amino]propan-2-yl] 4-ethanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: [(1R)-2-[(2-isopropyl-1H-pyrazol-2-ium-3-yl)amino]-1-methyl-2-oxo-ethyl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid [(2R)-1-oxo-1-[(2-propan-2-yl-1H-pyrazol-2-ium-3-yl)amino]propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-[(2-propan-2-yl-1H-pyrazol-2-ium-3-yl)amino]propan-2-yl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid [(1R)-2-[(2-isopropyl-1H-pyrazol-2-ium-3-yl)amino]-2-keto-1-methyl-ethyl] ester Formula: C18H25N4O4+ MolecularWeight: 361.4155

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)OC(C)C(=O)NC2=[N+](NC=C2)C(C)C

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)O[C@H](C)C(=O)NC2=[N+](NC=C2)C(C)C

InChI

InChI=1S/C18H24N4O4/c1-9(2)22-14(7-8-19-22)21-17(24)13(6)26-18(25)16-10(3)15(12(5)23)11(4)20-16/h7-9,13H,1-6H3,(H2,19,20,21,23,24,25)/p+1/t13-/m1/s1