2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl-[(2S,3S)-3-methylpentan-2-yl]azanium

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl-[(2S,3S)-3-methylpentan-2-yl]azanium Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl-[(1S,2S)-1,2-dimethylbutyl]ammonium CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl-[(2S,3S)-3-methylpentan-2-yl]ammonium IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl-[(2S,3S)-3-methylpentan-2-yl]azanium Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl-[(1S,2S)-1,2-dimethylbutyl]ammonium Formula: C16H26NO2+ MolecularWeight: 264.38314

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C)[NH2+]CCC1=CC2=C(C=C1)OCCO2

Isomeric SMILES

CC[C@H](C)[C@H](C)[NH2+]CCC1=CC2=C(C=C1)OCCO2

InChI

InChI=1S/C16H25NO2/c1-4-12(2)13(3)17-8-7-14-5-6-15-16(11-14)19-10-9-18-15/h5-6,11-13,17H,4,7-10H2,1-3H3/p+1/t12-,13-/m0/s1