4-[[bis(phenylmethyl)azaniumyl]methyl]-5-methyl-furan-2-carboxylate

Systemtic Name: 4-[[bis(phenylmethyl)azaniumyl]methyl]-5-methyl-furan-2-carboxylate Openeye Name: 4-[(dibenzylammonio)methyl]-5-methyl-furan-2-carboxylate CAS Name: 4-[[bis(phenylmethyl)ammonio]methyl]-5-methyl-2-furancarboxylate IUPAC Name: 4-[(dibenzylazaniumyl)methyl]-5-methylfuran-2-carboxylate Traditional Name: 4-[(dibenzylammonio)methyl]-5-methyl-2-furoate Formula: C21H21NO3 MolecularWeight: 335.39634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)C(=O)[O-])C[NH+](CC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(O1)C(=O)[O-])C[NH+](CC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C21H21NO3/c1-16-19(12-20(25-16)21(23)24)15-22(13-17-8-4-2-5-9-17)14-18-10-6-3-7-11-18/h2-12H,13-15H2,1H3,(H,23,24)