[(2S)-2-(1,3-benzodioxol-5-ylmethyl)-3,3-dimethoxy-propyl]azanium

Systemtic Name: [(2S)-2-(1,3-benzodioxol-5-ylmethyl)-3,3-dimethoxy-propyl]azanium Openeye Name: [(2S)-2-(1,3-benzodioxol-5-ylmethyl)-3,3-dimethoxy-propyl]ammonium CAS Name: [(2S)-2-(1,3-benzodioxol-5-ylmethyl)-3,3-dimethoxypropyl]ammonium IUPAC Name: [(2S)-2-(1,3-benzodioxol-5-ylmethyl)-3,3-dimethoxypropyl]azanium Traditional Name: [(2S)-3,3-dimethoxy-2-piperonyl-propyl]ammonium Formula: C13H20NO4+ MolecularWeight: 254.3022

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Descriptors Computed from Structure

Canonical SMILES:

COC(C(CC1=CC2=C(C=C1)OCO2)C[NH3+])OC

Isomeric SMILES

COC([C@@H](CC1=CC2=C(C=C1)OCO2)C[NH3+])OC

InChI

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