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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)C[NH+]3CCCCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)C[NH+]3CCCCC3

InChI

InChI=1S/C22H26N2O3/c1-27-22(26)20-11-5-17(6-12-20)15-23-21(25)19-9-7-18(8-10-19)16-24-13-3-2-4-14-24/h5-12H,2-4,13-16H2,1H3,(H,23,25)/p+1