4-(piperidin-1-ium-1-ylmethoxy)benzoate

Systemtic Name: 4-(piperidin-1-ium-1-ylmethoxy)benzoate Openeye Name: 4-(piperidin-1-ium-1-ylmethoxy)benzoate CAS Name: 4-(1-piperidin-1-iumylmethoxy)benzoate IUPAC Name: 4-(piperidin-1-ium-1-ylmethoxy)benzoate Traditional Name: 4-(piperidin-1-ium-1-ylmethoxy)benzoate Formula: C13H17NO3 MolecularWeight: 235.27898

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)COC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)COC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C13H17NO3/c15-13(16)11-4-6-12(7-5-11)17-10-14-8-2-1-3-9-14/h4-7H,1-3,8-10H2,(H,15,16)