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

Systemtic Name: 4-[[3-(dibutylazaniumyl)propylazaniumyl]methyl]benzoate Openeye Name: 4-[[3-(dibutylammonio)propylammonio]methyl]benzoate CAS Name: 4-[[3-(dibutylammonio)propylammonio]methyl]benzoate IUPAC Name: 4-[[3-(dibutylazaniumyl)propylazaniumyl]methyl]benzoate Traditional Name: 4-[[3-(dibutylammonio)propylammonio]methyl]benzoate Formula: C19H33N2O2+ MolecularWeight: 321.47752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H32N2O2/c1-3-5-13-21(14-6-4-2)15-7-12-20-16-17-8-10-18(11-9-17)19(22)23/h8-11,20H,3-7,12-16H2,1-2H3,(H,22,23)/p+1