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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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