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

Systemtic Name: [(2S)-3-(1,3-benzodioxol-5-yloxy)-2-oxidanyl-propyl]-(2-methoxyethyl)azanium Openeye Name: [(2S)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxy-propyl]-(2-methoxyethyl)ammonium CAS Name: [(2S)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-(2-methoxyethyl)ammonium IUPAC Name: [(2S)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-(2-methoxyethyl)azanium Traditional Name: [(2S)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxy-propyl]-(2-methoxyethyl)ammonium Formula: C13H20NO5+ MolecularWeight: 270.3016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO5/c1-16-5-4-14-7-10(15)8-17-11-2-3-12-13(6-11)19-9-18-12/h2-3,6,10,14-15H,4-5,7-9H2,1H3/p+1/t10-/m0/s1