(5-methoxy-2-oxidanyl-phenyl)methyl-[(2R)-1-oxidanylbutan-2-yl]azanium

Systemtic Name: (5-methoxy-2-oxidanyl-phenyl)methyl-[(2R)-1-oxidanylbutan-2-yl]azanium Openeye Name: (2-hydroxy-5-methoxy-phenyl)methyl-[(1R)-1-(hydroxymethyl)propyl]ammonium CAS Name: [(2R)-1-hydroxybutan-2-yl]-[(2-hydroxy-5-methoxyphenyl)methyl]ammonium IUPAC Name: [(2R)-1-hydroxybutan-2-yl]-[(2-hydroxy-5-methoxyphenyl)methyl]azanium Traditional Name: (2-hydroxy-5-methoxy-benzyl)-[(1R)-1-methylolpropyl]ammonium Formula: C12H20NO3+ MolecularWeight: 226.2921

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19NO3/c1-3-10(8-14)13-7-9-6-11(16-2)4-5-12(9)15/h4-6,10,13-15H,3,7-8H2,1-2H3/p+1/t10-/m1/s1