methyl (2S,4S)-4-(2,3,5-trimethylphenoxy)pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,4S)-4-(2,3,5-trimethylphenoxy)pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S)-4-(2,3,5-trimethylphenoxy)pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S)-4-(2,3,5-trimethylphenoxy)-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-4-(2,3,5-trimethylphenoxy)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S)-4-(2,3,5-trimethylphenoxy)pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C15H22NO3+ MolecularWeight: 264.34008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OC2CC([NH2+]C2)C(=O)OC)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)O[C@H]2C[C@H]([NH2+]C2)C(=O)OC)C)C

InChI

InChI=1S/C15H21NO3/c1-9-5-10(2)11(3)14(6-9)19-12-7-13(16-8-12)15(17)18-4/h5-6,12-13,16H,7-8H2,1-4H3/p+1/t12-,13-/m0/s1