1,3-benzodioxol-5-ylmethyl-[(4-ethoxyphenyl)methyl]-[(2S)-2-oxidanylpropyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(4-ethoxyphenyl)methyl]-[(2S)-2-oxidanylpropyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(4-ethoxyphenyl)methyl]-[(2S)-2-hydroxypropyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(4-ethoxyphenyl)methyl]-[(2S)-2-hydroxypropyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(4-ethoxyphenyl)methyl]-[(2S)-2-hydroxypropyl]azanium Traditional Name: (4-ethoxybenzyl)-[(2S)-2-hydroxypropyl]-piperonyl-ammonium Formula: C20H26NO4+ MolecularWeight: 344.42474

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+](CC2=CC3=C(C=C2)OCO3)CC(C)O

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+](CC2=CC3=C(C=C2)OCO3)C[C@H](C)O

InChI

InChI=1S/C20H25NO4/c1-3-23-18-7-4-16(5-8-18)12-21(11-15(2)22)13-17-6-9-19-20(10-17)25-14-24-19/h4-10,15,22H,3,11-14H2,1-2H3/p+1/t15-/m0/s1