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

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

Isomeric SMILES

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

InChI

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