methyl (2S,4S)-1-(cyclohexylmethyl)-4-(pyridin-2-ylcarbonylamino)pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,4S)-1-(cyclohexylmethyl)-4-(pyridin-2-ylcarbonylamino)pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S)-1-(cyclohexylmethyl)-4-(pyridine-2-carbonylamino)pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S)-1-(cyclohexylmethyl)-4-[[oxo(2-pyridinyl)methyl]amino]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-1-(cyclohexylmethyl)-4-(pyridine-2-carbonylamino)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S)-1-(cyclohexylmethyl)-4-picolinamido-pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C19H28N3O3+ MolecularWeight: 346.44392

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(C[NH+]1CC2CCCCC2)NC(=O)C3=CC=CC=N3

Isomeric SMILES

COC(=O)[C@@H]1C[C@@H](C[NH+]1CC2CCCCC2)NC(=O)C3=CC=CC=N3

InChI

InChI=1S/C19H27N3O3/c1-25-19(24)17-11-15(21-18(23)16-9-5-6-10-20-16)13-22(17)12-14-7-3-2-4-8-14/h5-6,9-10,14-15,17H,2-4,7-8,11-13H2,1H3,(H,21,23)/p+1/t15-,17-/m0/s1