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

Systemtic Name: methyl (2S,4S)-4-(3,5-dimethylphenoxy)pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S)-4-(3,5-dimethylphenoxy)pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S)-4-(3,5-dimethylphenoxy)-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-4-(3,5-dimethylphenoxy)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S)-4-(3,5-dimethylphenoxy)pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C14H20NO3+ MolecularWeight: 250.3135

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO3/c1-9-4-10(2)6-11(5-9)18-12-7-13(15-8-12)14(16)17-3/h4-6,12-13,15H,7-8H2,1-3H3/p+1/t12-,13-/m0/s1