methyl 4-(3-pyrrolidin-1-ium-1-ylpropanoylamino)benzoate

Systemtic Name: methyl 4-(3-pyrrolidin-1-ium-1-ylpropanoylamino)benzoate Openeye Name: methyl 4-(3-pyrrolidin-1-ium-1-ylpropanoylamino)benzoate CAS Name: 4-[[1-oxo-3-(1-pyrrolidin-1-iumyl)propyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(3-pyrrolidin-1-ium-1-ylpropanoylamino)benzoate Traditional Name: 4-(3-pyrrolidin-1-ium-1-ylpropanoylamino)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)NC(=O)CC[NH+]2CCCC2

Isomeric SMILES

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

InChI

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