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

Systemtic Name: ethyl 3-methyl-4-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]carbonylamino]benzoate Openeye Name: ethyl 3-methyl-4-[[4-(pyrrolidin-1-ium-1-ylmethyl)benzoyl]amino]benzoate CAS Name: 3-methyl-4-[[oxo-[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-methyl-4-[[4-(pyrrolidin-1-ium-1-ylmethyl)benzoyl]amino]benzoate Traditional Name: 3-methyl-4-[[4-(pyrrolidin-1-ium-1-ylmethyl)benzoyl]amino]benzoic acid ethyl ester Formula: C22H27N2O3+ MolecularWeight: 367.46138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O3/c1-3-27-22(26)19-10-11-20(16(2)14-19)23-21(25)18-8-6-17(7-9-18)15-24-12-4-5-13-24/h6-11,14H,3-5,12-13,15H2,1-2H3,(H,23,25)/p+1