4-(1-methylpiperidin-1-ium-4-yl)oxybenzoate

Systemtic Name: 4-(1-methylpiperidin-1-ium-4-yl)oxybenzoate Openeye Name: 4-(1-methylpiperidin-1-ium-4-yl)oxybenzoate CAS Name: 4-[(1-methyl-4-piperidin-1-iumyl)oxy]benzoate IUPAC Name: 4-(1-methylpiperidin-1-ium-4-yl)oxybenzoate Traditional Name: 4-(1-methylpiperidin-1-ium-4-yl)oxybenzoate Formula: C13H17NO3 MolecularWeight: 235.27898

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)OC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

C[NH+]1CCC(CC1)OC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C13H17NO3/c1-14-8-6-12(7-9-14)17-11-4-2-10(3-5-11)13(15)16/h2-5,12H,6-9H2,1H3,(H,15,16)