methyl (2S,4R)-1-(cyclohexylmethyl)-4-[(4-pyrazol-1-ylphenyl)carbonylamino]pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,4R)-1-(cyclohexylmethyl)-4-[(4-pyrazol-1-ylphenyl)carbonylamino]pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4R)-1-(cyclohexylmethyl)-4-[(4-pyrazol-1-ylbenzoyl)amino]pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4R)-1-(cyclohexylmethyl)-4-[[oxo-[4-(1-pyrazolyl)phenyl]methyl]amino]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4R)-1-(cyclohexylmethyl)-4-[(4-pyrazol-1-ylbenzoyl)amino]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4R)-1-(cyclohexylmethyl)-4-[(4-pyrazol-1-ylbenzoyl)amino]pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C23H31N4O3+ MolecularWeight: 411.51724

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(C[NH+]1CC2CCCCC2)NC(=O)C3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

COC(=O)[C@@H]1C[C@H](C[NH+]1CC2CCCCC2)NC(=O)C3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C23H30N4O3/c1-30-23(29)21-14-19(16-26(21)15-17-6-3-2-4-7-17)25-22(28)18-8-10-20(11-9-18)27-13-5-12-24-27/h5,8-13,17,19,21H,2-4,6-7,14-16H2,1H3,(H,25,28)/p+1/t19-,21+/m1/s1