[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-hexyl-azanium

Systemtic Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-hexyl-azanium Openeye Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-hexyl-ammonium CAS Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-hexylammonium IUPAC Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-hexylazanium Traditional Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-hexyl-ammonium Formula: C15H24NO2+ MolecularWeight: 250.35656

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[NH2+]CC1COC2=CC=CC=C2O1

Isomeric SMILES

CCCCCC[NH2+]C[C@H]1COC2=CC=CC=C2O1

InChI

InChI=1S/C15H23NO2/c1-2-3-4-7-10-16-11-13-12-17-14-8-5-6-9-15(14)18-13/h5-6,8-9,13,16H,2-4,7,10-12H2,1H3/p+1/t13-/m0/s1