2-[[(phenylmethyl)-propan-2-yl-azaniumyl]methyl]benzoate

Systemtic Name: 2-[[(phenylmethyl)-propan-2-yl-azaniumyl]methyl]benzoate Openeye Name: 2-[[benzyl(isopropyl)ammonio]methyl]benzoate CAS Name: 2-[[(phenylmethyl)-propan-2-ylammonio]methyl]benzoate IUPAC Name: 2-[[benzyl(propan-2-yl)azaniumyl]methyl]benzoate Traditional Name: 2-[[benzyl(isopropyl)ammonio]methyl]benzoate Formula: C18H21NO2 MolecularWeight: 283.36484

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CC1=CC=CC=C1)CC2=CC=CC=C2C(=O)[O-]

Isomeric SMILES

CC(C)[NH+](CC1=CC=CC=C1)CC2=CC=CC=C2C(=O)[O-]

InChI

InChI=1S/C18H21NO2/c1-14(2)19(12-15-8-4-3-5-9-15)13-16-10-6-7-11-17(16)18(20)21/h3-11,14H,12-13H2,1-2H3,(H,20,21)