4-[[3-(methylazaniumyl)propylazaniumyl]methyl]benzoate

Systemtic Name: 4-[[3-(methylazaniumyl)propylazaniumyl]methyl]benzoate Openeye Name: 4-[[3-(methylammonio)propylammonio]methyl]benzoate CAS Name: 4-[[3-(methylammonio)propylammonio]methyl]benzoate IUPAC Name: 4-[[3-(methylazaniumyl)propylazaniumyl]methyl]benzoate Traditional Name: 4-[[3-(methylammonio)propylammonio]methyl]benzoate Formula: C12H19N2O2+ MolecularWeight: 223.29146

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]CCC[NH2+]CC1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

C[NH2+]CCC[NH2+]CC1=CC=C(C=C1)C(=O)[O-]

InChI

InChI=1S/C12H18N2O2/c1-13-7-2-8-14-9-10-3-5-11(6-4-10)12(15)16/h3-6,13-14H,2,7-9H2,1H3,(H,15,16)/p+1