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

Systemtic Name: 4-[2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethoxy]benzoate Openeye Name: 4-[2-(4-benzylpiperidin-1-ium-1-yl)ethoxy]benzoate CAS Name: 4-[2-[4-(phenylmethyl)-1-piperidin-1-iumyl]ethoxy]benzoate IUPAC Name: 4-[2-(4-benzylpiperidin-1-ium-1-yl)ethoxy]benzoate Traditional Name: 4-[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=C(C=C3)C(=O)[O-]

Isomeric SMILES

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

InChI

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