methyl (2S,4R)-4-(cyclohexylcarbonylamino)-1-[(3-ethoxy-4-methoxy-phenyl)methyl]pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,4R)-4-(cyclohexylcarbonylamino)-1-[(3-ethoxy-4-methoxy-phenyl)methyl]pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4R)-4-(cyclohexanecarbonylamino)-1-[(3-ethoxy-4-methoxy-phenyl)methyl]pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4R)-4-[[cyclohexyl(oxo)methyl]amino]-1-[(3-ethoxy-4-methoxyphenyl)methyl]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4R)-4-(cyclohexanecarbonylamino)-1-[(3-ethoxy-4-methoxyphenyl)methyl]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4R)-4-(cyclohexanecarbonylamino)-1-(3-ethoxy-4-methoxy-benzyl)pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C23H35N2O5+ MolecularWeight: 419.5344

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH+]2CC(CC2C(=O)OC)NC(=O)C3CCCCC3)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+]2C[C@@H](C[C@H]2C(=O)OC)NC(=O)C3CCCCC3)OC

InChI

InChI=1S/C23H34N2O5/c1-4-30-21-12-16(10-11-20(21)28-2)14-25-15-18(13-19(25)23(27)29-3)24-22(26)17-8-6-5-7-9-17/h10-12,17-19H,4-9,13-15H2,1-3H3,(H,24,26)/p+1/t18-,19+/m1/s1