3-[5-[[3-(dimethylazaniumyl)propylazaniumyl]methyl]furan-2-yl]benzoate

Systemtic Name: 3-[5-[[3-(dimethylazaniumyl)propylazaniumyl]methyl]furan-2-yl]benzoate Openeye Name: 3-[5-[[3-(dimethylammonio)propylammonio]methyl]-2-furyl]benzoate CAS Name: 3-[5-[[3-(dimethylammonio)propylammonio]methyl]-2-furanyl]benzoate IUPAC Name: 3-[5-[[3-(dimethylazaniumyl)propylazaniumyl]methyl]furan-2-yl]benzoate Traditional Name: 3-[5-[[3-(dimethylammonio)propylammonio]methyl]-2-furyl]benzoate Formula: C17H23N2O3+ MolecularWeight: 303.37612

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCC[NH2+]CC1=CC=C(O1)C2=CC(=CC=C2)C(=O)[O-]

Isomeric SMILES

C[NH+](C)CCC[NH2+]CC1=CC=C(O1)C2=CC(=CC=C2)C(=O)[O-]

InChI

InChI=1S/C17H22N2O3/c1-19(2)10-4-9-18-12-15-7-8-16(22-15)13-5-3-6-14(11-13)17(20)21/h3,5-8,11,18H,4,9-10,12H2,1-2H3,(H,20,21)/p+1