[(2S)-butan-2-yl]-[(3,5-dimethoxy-4-oxidanyl-phenyl)methyl]azanium

Systemtic Name: [(2S)-butan-2-yl]-[(3,5-dimethoxy-4-oxidanyl-phenyl)methyl]azanium Openeye Name: (4-hydroxy-3,5-dimethoxy-phenyl)methyl-[(1S)-1-methylpropyl]ammonium CAS Name: [(2S)-butan-2-yl]-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]ammonium IUPAC Name: [(2S)-butan-2-yl]-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]azanium Traditional Name: (4-hydroxy-3,5-dimethoxy-benzyl)-[(1S)-1-methylpropyl]ammonium Formula: C13H22NO3+ MolecularWeight: 240.31868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21NO3/c1-5-9(2)14-8-10-6-11(16-3)13(15)12(7-10)17-4/h6-7,9,14-15H,5,8H2,1-4H3/p+1/t9-/m0/s1