ethyl 2-[2-[(4-chlorophenyl)methyl]-1,3-dimethyl-pyrrolidin-1-ium-1-yl]ethanoate

Systemtic Name: ethyl 2-[2-[(4-chlorophenyl)methyl]-1,3-dimethyl-pyrrolidin-1-ium-1-yl]ethanoate Openeye Name: ethyl 2-[2-[(4-chlorophenyl)methyl]-1,3-dimethyl-pyrrolidin-1-ium-1-yl]acetate CAS Name: 2-[2-[(4-chlorophenyl)methyl]-1,3-dimethyl-1-pyrrolidin-1-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[(4-chlorophenyl)methyl]-1,3-dimethylpyrrolidin-1-ium-1-yl]acetate Traditional Name: 2-[2-(4-chlorobenzyl)-1,3-dimethyl-pyrrolidin-1-ium-1-yl]acetic acid ethyl ester Formula: C17H25ClNO2+ MolecularWeight: 310.8389

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+]1(CCC(C1CC2=CC=C(C=C2)Cl)C)C

Isomeric SMILES

CCOC(=O)C[N+]1(CCC(C1CC2=CC=C(C=C2)Cl)C)C

InChI

InChI=1S/C17H25ClNO2/c1-4-21-17(20)12-19(3)10-9-13(2)16(19)11-14-5-7-15(18)8-6-14/h5-8,13,16H,4,9-12H2,1-3H3/q+1