2-(3,4-dimethoxyphenyl)ethyl-[(2S,3S)-3-methylpentan-2-yl]azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[(2S,3S)-3-methylpentan-2-yl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[(1S,2S)-1,2-dimethylbutyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[(2S,3S)-3-methylpentan-2-yl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[(2S,3S)-3-methylpentan-2-yl]azanium Traditional Name: [(1S,2S)-1,2-dimethylbutyl]-homoveratryl-ammonium Formula: C16H28NO2+ MolecularWeight: 266.39902

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C)[NH2+]CCC1=CC(=C(C=C1)OC)OC

Isomeric SMILES

CC[C@H](C)[C@H](C)[NH2+]CCC1=CC(=C(C=C1)OC)OC

InChI

InChI=1S/C16H27NO2/c1-6-12(2)13(3)17-10-9-14-7-8-15(18-4)16(11-14)19-5/h7-8,11-13,17H,6,9-10H2,1-5H3/p+1/t12-,13-/m0/s1