2-[3-[bis(2-methylpropyl)azaniumyl]propoxy]benzoate

Systemtic Name: 2-[3-[bis(2-methylpropyl)azaniumyl]propoxy]benzoate Openeye Name: 2-[3-(diisobutylammonio)propoxy]benzoate CAS Name: 2-[3-[bis(2-methylpropyl)ammonio]propoxy]benzoate IUPAC Name: 2-[3-[bis(2-methylpropyl)azaniumyl]propoxy]benzoate Traditional Name: 2-[3-(diisobutylammonio)propoxy]benzoate Formula: C18H29NO3 MolecularWeight: 307.42776

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+](CCCOC1=CC=CC=C1C(=O)[O-])CC(C)C

Isomeric SMILES

CC(C)C[NH+](CCCOC1=CC=CC=C1C(=O)[O-])CC(C)C

InChI

InChI=1S/C18H29NO3/c1-14(2)12-19(13-15(3)4)10-7-11-22-17-9-6-5-8-16(17)18(20)21/h5-6,8-9,14-15H,7,10-13H2,1-4H3,(H,20,21)