methyl (2S,4S)-4-(cyclohexylcarbonylamino)-1-(3-phenylpropyl)pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,4S)-4-(cyclohexylcarbonylamino)-1-(3-phenylpropyl)pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S)-4-(cyclohexanecarbonylamino)-1-(3-phenylpropyl)pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S)-4-[[cyclohexyl(oxo)methyl]amino]-1-(3-phenylpropyl)-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-4-(cyclohexanecarbonylamino)-1-(3-phenylpropyl)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S)-4-(cyclohexanecarbonylamino)-1-(3-phenylpropyl)pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C22H33N2O3+ MolecularWeight: 373.50902

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(C[NH+]1CCCC2=CC=CC=C2)NC(=O)C3CCCCC3

Isomeric SMILES

COC(=O)[C@@H]1C[C@@H](C[NH+]1CCCC2=CC=CC=C2)NC(=O)C3CCCCC3

InChI

InChI=1S/C22H32N2O3/c1-27-22(26)20-15-19(23-21(25)18-12-6-3-7-13-18)16-24(20)14-8-11-17-9-4-2-5-10-17/h2,4-5,9-10,18-20H,3,6-8,11-16H2,1H3,(H,23,25)/p+1/t19-,20-/m0/s1