2-[4-[(2R)-2-oxidanyl-3-(propan-2-ylazaniumyl)propoxy]phenyl]ethanoate

Systemtic Name: 2-[4-[(2R)-2-oxidanyl-3-(propan-2-ylazaniumyl)propoxy]phenyl]ethanoate Openeye Name: 2-[4-[(2R)-2-hydroxy-3-(isopropylammonio)propoxy]phenyl]acetate CAS Name: 2-[4-[(2R)-2-hydroxy-3-(propan-2-ylammonio)propoxy]phenyl]acetate IUPAC Name: 2-[4-[(2R)-2-hydroxy-3-(propan-2-ylazaniumyl)propoxy]phenyl]acetate Traditional Name: 2-[4-[(2R)-2-hydroxy-3-(isopropylammonio)propoxy]phenyl]acetate Formula: C14H21NO4 MolecularWeight: 267.32084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH2+]CC(COC1=CC=C(C=C1)CC(=O)[O-])O

Isomeric SMILES

CC(C)[NH2+]C[C@H](COC1=CC=C(C=C1)CC(=O)[O-])O

InChI

InChI=1S/C14H21NO4/c1-10(2)15-8-12(16)9-19-13-5-3-11(4-6-13)7-14(17)18/h3-6,10,12,15-16H,7-9H2,1-2H3,(H,17,18)/t12-/m1/s1