methyl (2S,4S)-4-(4-chloranyl-3-ethyl-phenoxy)pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,4S)-4-(4-chloranyl-3-ethyl-phenoxy)pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S)-4-(4-chloro-3-ethyl-phenoxy)pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S)-4-(4-chloro-3-ethylphenoxy)-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-4-(4-chloro-3-ethylphenoxy)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S)-4-(4-chloro-3-ethyl-phenoxy)pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C14H19ClNO3+ MolecularWeight: 284.75856

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)OC2CC([NH2+]C2)C(=O)OC)Cl

Isomeric SMILES

CCC1=C(C=CC(=C1)O[C@H]2C[C@H]([NH2+]C2)C(=O)OC)Cl

InChI

InChI=1S/C14H18ClNO3/c1-3-9-6-10(4-5-12(9)15)19-11-7-13(16-8-11)14(17)18-2/h4-6,11,13,16H,3,7-8H2,1-2H3/p+1/t11-,13-/m0/s1