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

Systemtic Name: methyl (2S,4S)-4-(2-methoxyphenoxy)pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S)-4-(2-methoxyphenoxy)pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S)-4-(2-methoxyphenoxy)-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-4-(2-methoxyphenoxy)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S)-4-(2-methoxyphenoxy)pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C13H18NO4+ MolecularWeight: 252.28632

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OC2CC([NH2+]C2)C(=O)OC

Isomeric SMILES

COC1=CC=CC=C1O[C@H]2C[C@H]([NH2+]C2)C(=O)OC

InChI

InChI=1S/C13H17NO4/c1-16-11-5-3-4-6-12(11)18-9-7-10(14-8-9)13(15)17-2/h3-6,9-10,14H,7-8H2,1-2H3/p+1/t9-,10-/m0/s1