[(2S)-3-(1,3-benzodioxol-5-yloxy)-2-oxidanyl-propyl]-propyl-azanium

Systemtic Name: [(2S)-3-(1,3-benzodioxol-5-yloxy)-2-oxidanyl-propyl]-propyl-azanium Openeye Name: [(2S)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxy-propyl]-propyl-ammonium CAS Name: [(2S)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-propylammonium IUPAC Name: [(2S)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-propylazanium Traditional Name: [(2S)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxy-propyl]-propyl-ammonium Formula: C13H20NO4+ MolecularWeight: 254.3022

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH2+]CC(COC1=CC2=C(C=C1)OCO2)O

Isomeric SMILES

CCC[NH2+]C[C@@H](COC1=CC2=C(C=C1)OCO2)O

InChI

InChI=1S/C13H19NO4/c1-2-5-14-7-10(15)8-16-11-3-4-12-13(6-11)18-9-17-12/h3-4,6,10,14-15H,2,5,7-9H2,1H3/p+1/t10-/m0/s1