methyl 3-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]carbonylamino]benzoate

Systemtic Name: methyl 3-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]carbonylamino]benzoate Openeye Name: methyl 3-[[4-(pyrrolidin-1-ium-1-ylmethyl)benzoyl]amino]benzoate CAS Name: 3-[[oxo-[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-(pyrrolidin-1-ium-1-ylmethyl)benzoyl]amino]benzoate Traditional Name: 3-[[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=C1)NC(=O)C2=CC=C(C=C2)C[NH+]3CCCC3

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O3/c1-25-20(24)17-5-4-6-18(13-17)21-19(23)16-9-7-15(8-10-16)14-22-11-2-3-12-22/h4-10,13H,2-3,11-12,14H2,1H3,(H,21,23)/p+1