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

Systemtic Name: [(3S)-1-(1,3-benzodioxol-5-yloxy)pentan-3-yl]azanium Openeye Name: [(1S)-3-(1,3-benzodioxol-5-yloxy)-1-ethyl-propyl]ammonium CAS Name: [(3S)-1-(1,3-benzodioxol-5-yloxy)pentan-3-yl]ammonium IUPAC Name: [(3S)-1-(1,3-benzodioxol-5-yloxy)pentan-3-yl]azanium Traditional Name: [(1S)-3-(1,3-benzodioxol-5-yloxy)-1-ethyl-propyl]ammonium Formula: C12H18NO3+ MolecularWeight: 224.27622

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCOC1=CC2=C(C=C1)OCO2)[NH3+]

Isomeric SMILES

CC[C@@H](CCOC1=CC2=C(C=C1)OCO2)[NH3+]

InChI

InChI=1S/C12H17NO3/c1-2-9(13)5-6-14-10-3-4-11-12(7-10)16-8-15-11/h3-4,7,9H,2,5-6,8,13H2,1H3/p+1/t9-/m0/s1