[(3S,4S)-3-(1,3-benzodioxol-5-yloxy)heptan-4-yl]azanium

Systemtic Name: [(3S,4S)-3-(1,3-benzodioxol-5-yloxy)heptan-4-yl]azanium Openeye Name: [(1S,2S)-2-(1,3-benzodioxol-5-yloxy)-1-propyl-butyl]ammonium CAS Name: [(3S,4S)-3-(1,3-benzodioxol-5-yloxy)heptan-4-yl]ammonium IUPAC Name: [(3S,4S)-3-(1,3-benzodioxol-5-yloxy)heptan-4-yl]azanium Traditional Name: [(1S,2S)-2-(1,3-benzodioxol-5-yloxy)-1-propyl-butyl]ammonium Formula: C14H22NO3+ MolecularWeight: 252.32938

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CC)OC1=CC2=C(C=C1)OCO2)[NH3+]

Isomeric SMILES

CCC[C@@H]([C@H](CC)OC1=CC2=C(C=C1)OCO2)[NH3+]

InChI

InChI=1S/C14H21NO3/c1-3-5-11(15)12(4-2)18-10-6-7-13-14(8-10)17-9-16-13/h6-8,11-12H,3-5,9,15H2,1-2H3/p+1/t11-,12-/m0/s1