methyl (2S,4S)-4-(3-acetamidophenoxy)pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,4S)-4-(3-acetamidophenoxy)pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S)-4-(3-acetamidophenoxy)pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S)-4-(3-acetamidophenoxy)-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-4-(3-acetamidophenoxy)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S)-4-(3-acetamidophenoxy)pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C14H19N2O4+ MolecularWeight: 279.31166

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC=C1)OC2CC([NH2+]C2)C(=O)OC

Isomeric SMILES

CC(=O)NC1=CC(=CC=C1)O[C@H]2C[C@H]([NH2+]C2)C(=O)OC

InChI

InChI=1S/C14H18N2O4/c1-9(17)16-10-4-3-5-11(6-10)20-12-7-13(15-8-12)14(18)19-2/h3-6,12-13,15H,7-8H2,1-2H3,(H,16,17)/p+1/t12-,13-/m0/s1