5-[[(phenylmethyl)-propan-2-yl-azaniumyl]methyl]furan-2-carboxylate

Systemtic Name: 5-[[(phenylmethyl)-propan-2-yl-azaniumyl]methyl]furan-2-carboxylate Openeye Name: 5-[[benzyl(isopropyl)ammonio]methyl]furan-2-carboxylate CAS Name: 5-[[(phenylmethyl)-propan-2-ylammonio]methyl]-2-furancarboxylate IUPAC Name: 5-[[benzyl(propan-2-yl)azaniumyl]methyl]furan-2-carboxylate Traditional Name: 5-[[benzyl(isopropyl)ammonio]methyl]-2-furoate Formula: C16H19NO3 MolecularWeight: 273.32696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CC1=CC=CC=C1)CC2=CC=C(O2)C(=O)[O-]

Isomeric SMILES

CC(C)[NH+](CC1=CC=CC=C1)CC2=CC=C(O2)C(=O)[O-]

InChI

InChI=1S/C16H19NO3/c1-12(2)17(10-13-6-4-3-5-7-13)11-14-8-9-15(20-14)16(18)19/h3-9,12H,10-11H2,1-2H3,(H,18,19)