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

Systemtic Name: 2-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]benzoate Openeye Name: 2-[(4-benzylpiperidin-1-ium-1-yl)methyl]benzoate CAS Name: 2-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]benzoate IUPAC Name: 2-[(4-benzylpiperidin-1-ium-1-yl)methyl]benzoate Traditional Name: 2-[(4-benzylpiperidin-1-ium-1-yl)methyl]benzoate Formula: C20H23NO2 MolecularWeight: 309.40212

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)CC3=CC=CC=C3C(=O)[O-]

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)CC3=CC=CC=C3C(=O)[O-]

InChI

InChI=1S/C20H23NO2/c22-20(23)19-9-5-4-8-18(19)15-21-12-10-17(11-13-21)14-16-6-2-1-3-7-16/h1-9,17H,10-15H2,(H,22,23)