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

Systemtic Name: 4-[[3-(dimethylazaniumyl)propylazaniumyl]methyl]benzoate Openeye Name: 4-[[3-(dimethylammonio)propylammonio]methyl]benzoate CAS Name: 4-[[3-(dimethylammonio)propylammonio]methyl]benzoate IUPAC Name: 4-[[3-(dimethylazaniumyl)propylazaniumyl]methyl]benzoate Traditional Name: 4-[[3-(dimethylammonio)propylammonio]methyl]benzoate Formula: C13H21N2O2+ MolecularWeight: 237.31804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O2/c1-15(2)9-3-8-14-10-11-4-6-12(7-5-11)13(16)17/h4-7,14H,3,8-10H2,1-2H3,(H,16,17)/p+1