3-[2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethoxy]benzoate

Systemtic Name: 3-[2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethoxy]benzoate Openeye Name: 3-[2-(4-benzylpiperidin-1-ium-1-yl)ethoxy]benzoate CAS Name: 3-[2-[4-(phenylmethyl)-1-piperidin-1-iumyl]ethoxy]benzoate IUPAC Name: 3-[2-(4-benzylpiperidin-1-ium-1-yl)ethoxy]benzoate Traditional Name: 3-[2-(4-benzylpiperidin-1-ium-1-yl)ethoxy]benzoate Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)CCOC3=CC=CC(=C3)C(=O)[O-]

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)CCOC3=CC=CC(=C3)C(=O)[O-]

InChI

InChI=1S/C21H25NO3/c23-21(24)19-7-4-8-20(16-19)25-14-13-22-11-9-18(10-12-22)15-17-5-2-1-3-6-17/h1-8,16,18H,9-15H2,(H,23,24)