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

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl-[(2S)-heptan-2-yl]azanium Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl-[(1S)-1-methylhexyl]ammonium CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl-[(2S)-heptan-2-yl]ammonium IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl-[(2S)-heptan-2-yl]azanium Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl-[(1S)-1-methylhexyl]ammonium Formula: C17H28NO2+ MolecularWeight: 278.40972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27NO2/c1-3-4-5-6-14(2)18-10-9-15-7-8-16-17(13-15)20-12-11-19-16/h7-8,13-14,18H,3-6,9-12H2,1-2H3/p+1/t14-/m0/s1