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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1OC2CC([NH2+]C2)C(=O)OC

Isomeric SMILES

CCC1=CC=CC=C1O[C@@H]2C[C@H]([NH2+]C2)C(=O)OC

InChI

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