1,3-benzodioxol-5-ylmethyl-[(3,5-dimethoxyphenyl)methyl]-[(2S)-2-oxidanylpropyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(3,5-dimethoxyphenyl)methyl]-[(2S)-2-oxidanylpropyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(3,5-dimethoxyphenyl)methyl]-[(2S)-2-hydroxypropyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(3,5-dimethoxyphenyl)methyl]-[(2S)-2-hydroxypropyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(3,5-dimethoxyphenyl)methyl]-[(2S)-2-hydroxypropyl]azanium Traditional Name: (3,5-dimethoxybenzyl)-[(2S)-2-hydroxypropyl]-piperonyl-ammonium Formula: C20H26NO5+ MolecularWeight: 360.42414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+](CC1=CC2=C(C=C1)OCO2)CC3=CC(=CC(=C3)OC)OC)O

Isomeric SMILES

C[C@@H](C[NH+](CC1=CC2=C(C=C1)OCO2)CC3=CC(=CC(=C3)OC)OC)O

InChI

InChI=1S/C20H25NO5/c1-14(22)10-21(11-15-4-5-19-20(8-15)26-13-25-19)12-16-6-17(23-2)9-18(7-16)24-3/h4-9,14,22H,10-13H2,1-3H3/p+1/t14-/m0/s1