1,3-benzodioxol-5-ylmethyl-[(2S)-3-(4-ethanoylphenoxy)-2-oxidanyl-propyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(2S)-3-(4-ethanoylphenoxy)-2-oxidanyl-propyl]azanium Openeye Name: [(2S)-3-(4-acetylphenoxy)-2-hydroxy-propyl]-(1,3-benzodioxol-5-ylmethyl)ammonium CAS Name: [(2S)-3-(4-acetylphenoxy)-2-hydroxypropyl]-(1,3-benzodioxol-5-ylmethyl)ammonium IUPAC Name: [(2S)-3-(4-acetylphenoxy)-2-hydroxypropyl]-(1,3-benzodioxol-5-ylmethyl)azanium Traditional Name: [(2S)-3-(4-acetylphenoxy)-2-hydroxy-propyl]-piperonyl-ammonium Formula: C19H22NO5+ MolecularWeight: 344.38168

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OCC(C[NH2+]CC2=CC3=C(C=C2)OCO3)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OC[C@H](C[NH2+]CC2=CC3=C(C=C2)OCO3)O

InChI

InChI=1S/C19H21NO5/c1-13(21)15-3-5-17(6-4-15)23-11-16(22)10-20-9-14-2-7-18-19(8-14)25-12-24-18/h2-8,16,20,22H,9-12H2,1H3/p+1/t16-/m0/s1