methyl (2S,4R)-4-(cyclohexylcarbonylamino)-1-[(4-methoxyphenyl)methyl]pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,4R)-4-(cyclohexylcarbonylamino)-1-[(4-methoxyphenyl)methyl]pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4R)-4-(cyclohexanecarbonylamino)-1-[(4-methoxyphenyl)methyl]pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4R)-4-[[cyclohexyl(oxo)methyl]amino]-1-[(4-methoxyphenyl)methyl]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4R)-4-(cyclohexanecarbonylamino)-1-[(4-methoxyphenyl)methyl]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4R)-4-(cyclohexanecarbonylamino)-1-p-anisyl-pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C21H31N2O4+ MolecularWeight: 375.48184

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CC(CC2C(=O)OC)NC(=O)C3CCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2C[C@@H](C[C@H]2C(=O)OC)NC(=O)C3CCCCC3

InChI

InChI=1S/C21H30N2O4/c1-26-18-10-8-15(9-11-18)13-23-14-17(12-19(23)21(25)27-2)22-20(24)16-6-4-3-5-7-16/h8-11,16-17,19H,3-7,12-14H2,1-2H3,(H,22,24)/p+1/t17-,19+/m1/s1