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

Systemtic Name: [(2S)-butan-2-yl]-[(3-methoxy-4-oxidanyl-phenyl)methyl]azanium Openeye Name: (4-hydroxy-3-methoxy-phenyl)methyl-[(1S)-1-methylpropyl]ammonium CAS Name: [(2S)-butan-2-yl]-[(4-hydroxy-3-methoxyphenyl)methyl]ammonium IUPAC Name: [(2S)-butan-2-yl]-[(4-hydroxy-3-methoxyphenyl)methyl]azanium Traditional Name: [(1S)-1-methylpropyl]-vanillyl-ammonium Formula: C12H20NO2+ MolecularWeight: 210.2927

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19NO2/c1-4-9(2)13-8-10-5-6-11(14)12(7-10)15-3/h5-7,9,13-14H,4,8H2,1-3H3/p+1/t9-/m0/s1