methyl 4-[(2-pyrrolidin-1-ium-1-ylethanoylamino)methyl]benzoate

Systemtic Name: methyl 4-[(2-pyrrolidin-1-ium-1-ylethanoylamino)methyl]benzoate Openeye Name: methyl 4-[[(2-pyrrolidin-1-ium-1-ylacetyl)amino]methyl]benzoate CAS Name: 4-[[[1-oxo-2-(1-pyrrolidin-1-iumyl)ethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2-pyrrolidin-1-ium-1-ylacetyl)amino]methyl]benzoate Traditional Name: 4-[[(2-pyrrolidin-1-ium-1-ylacetyl)amino]methyl]benzoic acid methyl ester Formula: C15H21N2O3+ MolecularWeight: 277.33884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O3/c1-20-15(19)13-6-4-12(5-7-13)10-16-14(18)11-17-8-2-3-9-17/h4-7H,2-3,8-11H2,1H3,(H,16,18)/p+1