(3-methoxy-4-oxidanyl-phenyl)methyl-[(2S)-1-methoxypropan-2-yl]azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19NO3/c1-9(8-15-2)13-7-10-4-5-11(14)12(6-10)16-3/h4-6,9,13-14H,7-8H2,1-3H3/p+1/t9-/m0/s1