methyl 2-[(2S)-2-(4-chlorophenyl)pyrrolidin-1-ium-1-yl]ethanoate

Systemtic Name: methyl 2-[(2S)-2-(4-chlorophenyl)pyrrolidin-1-ium-1-yl]ethanoate Openeye Name: methyl 2-[(2S)-2-(4-chlorophenyl)pyrrolidin-1-ium-1-yl]acetate CAS Name: 2-[(2S)-2-(4-chlorophenyl)-1-pyrrolidin-1-iumyl]acetic acid methyl ester IUPAC Name: methyl 2-[(2S)-2-(4-chlorophenyl)pyrrolidin-1-ium-1-yl]acetate Traditional Name: 2-[(2S)-2-(4-chlorophenyl)pyrrolidin-1-ium-1-yl]acetic acid methyl ester Formula: C13H17ClNO2+ MolecularWeight: 254.73258

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C[NH+]1CCCC1C2=CC=C(C=C2)Cl

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClNO2/c1-17-13(16)9-15-8-2-3-12(15)10-4-6-11(14)7-5-10/h4-7,12H,2-3,8-9H2,1H3/p+1/t12-/m0/s1