methyl 4-chloranyl-3-(2-pyrrolidin-1-ium-1-ylethanoylamino)benzoate

Systemtic Name: methyl 4-chloranyl-3-(2-pyrrolidin-1-ium-1-ylethanoylamino)benzoate Openeye Name: methyl 4-chloro-3-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]benzoate CAS Name: 4-chloro-3-[[1-oxo-2-(1-pyrrolidin-1-iumyl)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]benzoate Traditional Name: 4-chloro-3-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]benzoic acid methyl ester Formula: C14H18ClN2O3+ MolecularWeight: 297.75732

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C[NH+]2CCCC2

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C[NH+]2CCCC2

InChI

InChI=1S/C14H17ClN2O3/c1-20-14(19)10-4-5-11(15)12(8-10)16-13(18)9-17-6-2-3-7-17/h4-5,8H,2-3,6-7,9H2,1H3,(H,16,18)/p+1