(2-ethoxyphenyl)methyl-[2-(hydroxymethyl)-1,3-bis(oxidanyl)propan-2-yl]azanium

Systemtic Name: (2-ethoxyphenyl)methyl-[2-(hydroxymethyl)-1,3-bis(oxidanyl)propan-2-yl]azanium Openeye Name: (2-ethoxyphenyl)methyl-[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]ammonium CAS Name: [1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-[(2-ethoxyphenyl)methyl]ammonium IUPAC Name: [1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-[(2-ethoxyphenyl)methyl]azanium Traditional Name: (2-ethoxybenzyl)-(2-hydroxy-1,1-dimethylol-ethyl)ammonium Formula: C13H22NO4+ MolecularWeight: 256.31808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C[NH2+]C(CO)(CO)CO

Isomeric SMILES

CCOC1=CC=CC=C1C[NH2+]C(CO)(CO)CO

InChI

InChI=1S/C13H21NO4/c1-2-18-12-6-4-3-5-11(12)7-14-13(8-15,9-16)10-17/h3-6,14-17H,2,7-10H2,1H3/p+1