methyl (2S,4R)-4-(4-ethyl-2-methoxy-phenoxy)pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,4R)-4-(4-ethyl-2-methoxy-phenoxy)pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4R)-4-(4-ethyl-2-methoxy-phenoxy)pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4R)-4-(4-ethyl-2-methoxyphenoxy)-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4R)-4-(4-ethyl-2-methoxyphenoxy)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4R)-4-(4-ethyl-2-methoxy-phenoxy)pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C15H22NO4+ MolecularWeight: 280.33948

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OC2CC([NH2+]C2)C(=O)OC)OC

Isomeric SMILES

CCC1=CC(=C(C=C1)O[C@@H]2C[C@H]([NH2+]C2)C(=O)OC)OC

InChI

InChI=1S/C15H21NO4/c1-4-10-5-6-13(14(7-10)18-2)20-11-8-12(16-9-11)15(17)19-3/h5-7,11-12,16H,4,8-9H2,1-3H3/p+1/t11-,12+/m1/s1