[(2S)-butan-2-yl]-[(3,4-dimethoxyphenyl)methyl]azanium

Systemtic Name: [(2S)-butan-2-yl]-[(3,4-dimethoxyphenyl)methyl]azanium Openeye Name: (3,4-dimethoxyphenyl)methyl-[(1S)-1-methylpropyl]ammonium CAS Name: [(2S)-butan-2-yl]-[(3,4-dimethoxyphenyl)methyl]ammonium IUPAC Name: [(2S)-butan-2-yl]-[(3,4-dimethoxyphenyl)methyl]azanium Traditional Name: [(1S)-1-methylpropyl]-veratryl-ammonium Formula: C13H22NO2+ MolecularWeight: 224.31928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21NO2/c1-5-10(2)14-9-11-6-7-12(15-3)13(8-11)16-4/h6-8,10,14H,5,9H2,1-4H3/p+1/t10-/m0/s1