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

Systemtic Name: (3,5-dimethyl-4-oxidanyl-phenyl)methyl-[(2R)-1-oxidanylbutan-2-yl]azanium Openeye Name: (4-hydroxy-3,5-dimethyl-phenyl)methyl-[(1R)-1-(hydroxymethyl)propyl]ammonium CAS Name: [(2R)-1-hydroxybutan-2-yl]-[(4-hydroxy-3,5-dimethylphenyl)methyl]ammonium IUPAC Name: [(2R)-1-hydroxybutan-2-yl]-[(4-hydroxy-3,5-dimethylphenyl)methyl]azanium Traditional Name: (4-hydroxy-3,5-dimethyl-benzyl)-[(1R)-1-methylolpropyl]ammonium Formula: C13H22NO2+ MolecularWeight: 224.31928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21NO2/c1-4-12(8-15)14-7-11-5-9(2)13(16)10(3)6-11/h5-6,12,14-16H,4,7-8H2,1-3H3/p+1/t12-/m1/s1