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

Systemtic Name: [(2S)-3-(1,3-benzodioxol-5-ylmethoxy)-2-oxidanyl-propyl]-methyl-azanium Openeye Name: [(2S)-3-(1,3-benzodioxol-5-ylmethoxy)-2-hydroxy-propyl]-methyl-ammonium CAS Name: [(2S)-3-(1,3-benzodioxol-5-ylmethoxy)-2-hydroxypropyl]-methylammonium IUPAC Name: [(2S)-3-(1,3-benzodioxol-5-ylmethoxy)-2-hydroxypropyl]-methylazanium Traditional Name: [(2S)-2-hydroxy-3-piperonyloxy-propyl]-methyl-ammonium Formula: C12H18NO4+ MolecularWeight: 240.27562

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]CC(COCC1=CC2=C(C=C1)OCO2)O

Isomeric SMILES

C[NH2+]C[C@@H](COCC1=CC2=C(C=C1)OCO2)O

InChI

InChI=1S/C12H17NO4/c1-13-5-10(14)7-15-6-9-2-3-11-12(4-9)17-8-16-11/h2-4,10,13-14H,5-8H2,1H3/p+1/t10-/m0/s1