(3-methoxy-4-oxidanyl-phenyl)methyl-(2-methyl-1-oxidanyl-propan-2-yl)azanium

Systemtic Name: (3-methoxy-4-oxidanyl-phenyl)methyl-(2-methyl-1-oxidanyl-propan-2-yl)azanium Openeye Name: (2-hydroxy-1,1-dimethyl-ethyl)-[(4-hydroxy-3-methoxy-phenyl)methyl]ammonium CAS Name: (4-hydroxy-3-methoxyphenyl)methyl-(1-hydroxy-2-methylpropan-2-yl)ammonium IUPAC Name: (4-hydroxy-3-methoxyphenyl)methyl-(1-hydroxy-2-methylpropan-2-yl)azanium Traditional Name: (2-hydroxy-1,1-dimethyl-ethyl)-vanillyl-ammonium Formula: C12H20NO3+ MolecularWeight: 226.2921

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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