(3,5-dimethoxy-4-oxidanyl-phenyl)methyl-[(2R)-1-oxidanylbutan-2-yl]azanium

Systemtic Name: (3,5-dimethoxy-4-oxidanyl-phenyl)methyl-[(2R)-1-oxidanylbutan-2-yl]azanium Openeye Name: (4-hydroxy-3,5-dimethoxy-phenyl)methyl-[(1R)-1-(hydroxymethyl)propyl]ammonium CAS Name: [(2R)-1-hydroxybutan-2-yl]-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]ammonium IUPAC Name: [(2R)-1-hydroxybutan-2-yl]-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]azanium Traditional Name: (4-hydroxy-3,5-dimethoxy-benzyl)-[(1R)-1-methylolpropyl]ammonium Formula: C13H22NO4+ MolecularWeight: 256.31808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)[NH2+]CC1=CC(=C(C(=C1)OC)O)OC

Isomeric SMILES

CC[C@H](CO)[NH2+]CC1=CC(=C(C(=C1)OC)O)OC

InChI

InChI=1S/C13H21NO4/c1-4-10(8-15)14-7-9-5-11(17-2)13(16)12(6-9)18-3/h5-6,10,14-16H,4,7-8H2,1-3H3/p+1/t10-/m1/s1