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

Systemtic Name: 2-[3-[bis(phenylmethyl)azaniumyl]propoxy]benzoate Openeye Name: 2-[3-(dibenzylammonio)propoxy]benzoate CAS Name: 2-[3-[bis(phenylmethyl)ammonio]propoxy]benzoate IUPAC Name: 2-[3-(dibenzylazaniumyl)propoxy]benzoate Traditional Name: 2-[3-(dibenzylammonio)propoxy]benzoate Formula: C24H25NO3 MolecularWeight: 375.4602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[NH+](CCCOC2=CC=CC=C2C(=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C[NH+](CCCOC2=CC=CC=C2C(=O)[O-])CC3=CC=CC=C3

InChI

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