methyl (3S,4R)-4-(4-chlorophenyl)pyrrolidin-1-ium-3-carboxylate

Systemtic Name: methyl (3S,4R)-4-(4-chlorophenyl)pyrrolidin-1-ium-3-carboxylate Openeye Name: methyl (3S,4R)-4-(4-chlorophenyl)pyrrolidin-1-ium-3-carboxylate CAS Name: (3S,4R)-4-(4-chlorophenyl)-3-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (3S,4R)-4-(4-chlorophenyl)pyrrolidin-1-ium-3-carboxylate Traditional Name: (3S,4R)-4-(4-chlorophenyl)pyrrolidin-1-ium-3-carboxylic acid methyl ester Formula: C12H15ClNO2+ MolecularWeight: 240.706

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C[NH2+]CC1C2=CC=C(C=C2)Cl

Isomeric SMILES

COC(=O)[C@@H]1C[NH2+]C[C@H]1C2=CC=C(C=C2)Cl

InChI

InChI=1S/C12H14ClNO2/c1-16-12(15)11-7-14-6-10(11)8-2-4-9(13)5-3-8/h2-5,10-11,14H,6-7H2,1H3/p+1/t10-,11+/m0/s1