methyl (2S,4S)-4-(4-ethoxyphenoxy)pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,4S)-4-(4-ethoxyphenoxy)pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S)-4-(4-ethoxyphenoxy)pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S)-4-(4-ethoxyphenoxy)-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-4-(4-ethoxyphenoxy)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S)-4-(4-ethoxyphenoxy)pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C14H20NO4+ MolecularWeight: 266.3129

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OC2CC([NH2+]C2)C(=O)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)O[C@H]2C[C@H]([NH2+]C2)C(=O)OC

InChI

InChI=1S/C14H19NO4/c1-3-18-10-4-6-11(7-5-10)19-12-8-13(15-9-12)14(16)17-2/h4-7,12-13,15H,3,8-9H2,1-2H3/p+1/t12-,13-/m0/s1