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

Systemtic Name: 3-[3-[4-(phenylmethyl)piperidin-1-ium-1-yl]propoxy]benzoate Openeye Name: 3-[3-(4-benzylpiperidin-1-ium-1-yl)propoxy]benzoate CAS Name: 3-[3-[4-(phenylmethyl)-1-piperidin-1-iumyl]propoxy]benzoate IUPAC Name: 3-[3-(4-benzylpiperidin-1-ium-1-yl)propoxy]benzoate Traditional Name: 3-[3-(4-benzylpiperidin-1-ium-1-yl)propoxy]benzoate Formula: C22H27NO3 MolecularWeight: 353.45468

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)CCCOC3=CC=CC(=C3)C(=O)[O-]

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)CCCOC3=CC=CC(=C3)C(=O)[O-]

InChI

InChI=1S/C22H27NO3/c24-22(25)20-8-4-9-21(17-20)26-15-5-12-23-13-10-19(11-14-23)16-18-6-2-1-3-7-18/h1-4,6-9,17,19H,5,10-16H2,(H,24,25)