(4-acetamidophenyl) 4-(piperidin-1-ium-1-ylmethyl)benzoate

Systemtic Name: (4-acetamidophenyl) 4-(piperidin-1-ium-1-ylmethyl)benzoate Openeye Name: (4-acetamidophenyl) 4-(piperidin-1-ium-1-ylmethyl)benzoate CAS Name: 4-(1-piperidin-1-iumylmethyl)benzoic acid (4-acetamidophenyl) ester IUPAC Name: (4-acetamidophenyl) 4-(piperidin-1-ium-1-ylmethyl)benzoate Traditional Name: 4-(piperidin-1-ium-1-ylmethyl)benzoic acid (4-acetamidophenyl) ester Formula: C21H25N2O3+ MolecularWeight: 353.4348

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C[NH+]3CCCCC3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C[NH+]3CCCCC3

InChI

InChI=1S/C21H24N2O3/c1-16(24)22-19-9-11-20(12-10-19)26-21(25)18-7-5-17(6-8-18)15-23-13-3-2-4-14-23/h5-12H,2-4,13-15H2,1H3,(H,22,24)/p+1