methyl 2-methyl-3-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]carbonylamino]benzoate

Systemtic Name: methyl 2-methyl-3-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]carbonylamino]benzoate Openeye Name: methyl 2-methyl-3-[[4-(piperidin-1-ium-1-ylmethyl)benzoyl]amino]benzoate CAS Name: 2-methyl-3-[[oxo-[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-methyl-3-[[4-(piperidin-1-ium-1-ylmethyl)benzoyl]amino]benzoate Traditional Name: 2-methyl-3-[[4-(piperidin-1-ium-1-ylmethyl)benzoyl]amino]benzoic acid methyl ester Formula: C22H27N2O3+ MolecularWeight: 367.46138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)C2=CC=C(C=C2)C[NH+]3CCCCC3)C(=O)OC

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)C2=CC=C(C=C2)C[NH+]3CCCCC3)C(=O)OC

InChI

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