[(2S,3S)-3-methylpentan-2-yl]-[(3,4,5-trimethoxyphenyl)methyl]azanium

Systemtic Name: [(2S,3S)-3-methylpentan-2-yl]-[(3,4,5-trimethoxyphenyl)methyl]azanium Openeye Name: [(1S,2S)-1,2-dimethylbutyl]-[(3,4,5-trimethoxyphenyl)methyl]ammonium CAS Name: [(2S,3S)-3-methylpentan-2-yl]-[(3,4,5-trimethoxyphenyl)methyl]ammonium IUPAC Name: [(2S,3S)-3-methylpentan-2-yl]-[(3,4,5-trimethoxyphenyl)methyl]azanium Traditional Name: [(1S,2S)-1,2-dimethylbutyl]-(3,4,5-trimethoxybenzyl)ammonium Formula: C16H28NO3+ MolecularWeight: 282.39842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27NO3/c1-7-11(2)12(3)17-10-13-8-14(18-4)16(20-6)15(9-13)19-5/h8-9,11-12,17H,7,10H2,1-6H3/p+1/t11-,12-/m0/s1