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

Systemtic Name: methyl 4-(2-pyrrolidin-1-ium-1-ylethanoylamino)benzoate Openeye Name: methyl 4-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]benzoate CAS Name: 4-[[1-oxo-2-(1-pyrrolidin-1-iumyl)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]benzoate Traditional Name: 4-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]benzoic acid methyl ester Formula: C14H19N2O3+ MolecularWeight: 263.31226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O3/c1-19-14(18)11-4-6-12(7-5-11)15-13(17)10-16-8-2-3-9-16/h4-7H,2-3,8-10H2,1H3,(H,15,17)/p+1