2-[4-[[(phenylmethyl)-propan-2-yl-azaniumyl]methyl]phenyl]ethanoate

Systemtic Name: 2-[4-[[(phenylmethyl)-propan-2-yl-azaniumyl]methyl]phenyl]ethanoate Openeye Name: 2-[4-[[benzyl(isopropyl)ammonio]methyl]phenyl]acetate CAS Name: 2-[4-[[(phenylmethyl)-propan-2-ylammonio]methyl]phenyl]acetate IUPAC Name: 2-[4-[[benzyl(propan-2-yl)azaniumyl]methyl]phenyl]acetate Traditional Name: 2-[4-[[benzyl(isopropyl)ammonio]methyl]phenyl]acetate Formula: C19H23NO2 MolecularWeight: 297.39142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CC1=CC=CC=C1)CC2=CC=C(C=C2)CC(=O)[O-]

Isomeric SMILES

CC(C)[NH+](CC1=CC=CC=C1)CC2=CC=C(C=C2)CC(=O)[O-]

InChI

InChI=1S/C19H23NO2/c1-15(2)20(13-17-6-4-3-5-7-17)14-18-10-8-16(9-11-18)12-19(21)22/h3-11,15H,12-14H2,1-2H3,(H,21,22)