methyl 2-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]carbonylamino]benzoate

Systemtic Name: methyl 2-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]carbonylamino]benzoate Openeye Name: methyl 2-[[4-(pyrrolidin-1-ium-1-ylmethyl)benzoyl]amino]benzoate CAS Name: 2-[[oxo-[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-(pyrrolidin-1-ium-1-ylmethyl)benzoyl]amino]benzoate Traditional Name: 2-[[4-(pyrrolidin-1-ium-1-ylmethyl)benzoyl]amino]benzoic acid methyl ester Formula: C20H23N2O3+ MolecularWeight: 339.40822

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)C2=CC=C(C=C2)C[NH+]3CCCC3

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)C2=CC=C(C=C2)C[NH+]3CCCC3

InChI

InChI=1S/C20H22N2O3/c1-25-20(24)17-6-2-3-7-18(17)21-19(23)16-10-8-15(9-11-16)14-22-12-4-5-13-22/h2-3,6-11H,4-5,12-14H2,1H3,(H,21,23)/p+1