3-[3-[bis(phenylmethyl)azaniumyl]propoxy]benzoate

Systemtic Name: 3-[3-[bis(phenylmethyl)azaniumyl]propoxy]benzoate Openeye Name: 3-[3-(dibenzylammonio)propoxy]benzoate CAS Name: 3-[3-[bis(phenylmethyl)ammonio]propoxy]benzoate IUPAC Name: 3-[3-(dibenzylazaniumyl)propoxy]benzoate Traditional Name: 3-[3-(dibenzylammonio)propoxy]benzoate Formula: C24H25NO3 MolecularWeight: 375.4602

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[NH+](CCCOC2=CC=CC(=C2)C(=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C[NH+](CCCOC2=CC=CC(=C2)C(=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C24H25NO3/c26-24(27)22-13-7-14-23(17-22)28-16-8-15-25(18-20-9-3-1-4-10-20)19-21-11-5-2-6-12-21/h1-7,9-14,17H,8,15-16,18-19H2,(H,26,27)