4-[(piperidin-1-ium-4-ylmethylazaniumyl)methyl]benzoate

Systemtic Name: 4-[(piperidin-1-ium-4-ylmethylazaniumyl)methyl]benzoate Openeye Name: 4-[(piperidin-1-ium-4-ylmethylammonio)methyl]benzoate CAS Name: 4-[(4-piperidin-1-iumylmethylammonio)methyl]benzoate IUPAC Name: 4-[(piperidin-1-ium-4-ylmethylazaniumyl)methyl]benzoate Traditional Name: 4-[(piperidin-1-ium-4-ylmethylammonio)methyl]benzoate Formula: C14H21N2O2+ MolecularWeight: 249.32874

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCC1C[NH2+]CC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

C1C[NH2+]CCC1C[NH2+]CC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C14H20N2O2/c17-14(18)13-3-1-11(2-4-13)9-16-10-12-5-7-15-8-6-12/h1-4,12,15-16H,5-10H2,(H,17,18)/p+1