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

Systemtic Name: methyl (2S,4R)-4-(2,5-dimethylphenoxy)pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4R)-4-(2,5-dimethylphenoxy)pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4R)-4-(2,5-dimethylphenoxy)-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4R)-4-(2,5-dimethylphenoxy)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4R)-4-(2,5-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(=C(C=C1)C)OC2CC([NH2+]C2)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO3/c1-9-4-5-10(2)13(6-9)18-11-7-12(15-8-11)14(16)17-3/h4-6,11-12,15H,7-8H2,1-3H3/p+1/t11-,12+/m1/s1