4-(1-methyl-1-oxidanidyl-piperidin-1-ium-4-yl)benzoic acid

Systemtic Name: 4-(1-methyl-1-oxidanidyl-piperidin-1-ium-4-yl)benzoic acid Openeye Name: 4-(1-methyl-1-oxido-piperidin-1-ium-4-yl)benzoic acid CAS Name: 4-(1-methyl-1-oxido-4-piperidin-1-iumyl)benzoic acid IUPAC Name: 4-(1-methyl-1-oxidopiperidin-1-ium-4-yl)benzoic acid Traditional Name: 4-(1-methyl-1-oxido-piperidin-1-ium-4-yl)benzoic acid Formula: C13H17NO3 MolecularWeight: 235.27898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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