methyl 5-[(3-chlorophenyl)methyl]-1-oxidanylidene-pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl 5-[(3-chlorophenyl)methyl]-1-oxidanylidene-pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl 5-[(3-chlorophenyl)methyl]-1-oxo-pyrrolidin-1-ium-2-carboxylate CAS Name: 5-[(3-chlorophenyl)methyl]-1-oxo-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 5-[(3-chlorophenyl)methyl]-1-oxopyrrolidin-1-ium-2-carboxylate Traditional Name: 5-(3-chlorobenzyl)-1-keto-pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C13H15ClNO3+ MolecularWeight: 268.7161

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC([N+]1=O)CC2=CC(=CC=C2)Cl

Isomeric SMILES

COC(=O)C1CCC([N+]1=O)CC2=CC(=CC=C2)Cl

InChI

InChI=1S/C13H15ClNO3/c1-18-13(16)12-6-5-11(15(12)17)8-9-3-2-4-10(14)7-9/h2-4,7,11-12H,5-6,8H2,1H3/q+1