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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(2S)-2-oxidanyl-3-(4-phenylphenoxy)propyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(2S)-2-hydroxy-3-(4-phenylphenoxy)propyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(2S)-2-hydroxy-3-(4-phenylphenoxy)propyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(2S)-2-hydroxy-3-(4-phenylphenoxy)propyl]azanium Traditional Name: [(2S)-2-hydroxy-3-(4-phenylphenoxy)propyl]-piperonyl-ammonium Formula: C23H24NO4+ MolecularWeight: 378.44096

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C[NH2+]CC(COC3=CC=C(C=C3)C4=CC=CC=C4)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C[NH2+]C[C@@H](COC3=CC=C(C=C3)C4=CC=CC=C4)O

InChI

InChI=1S/C23H23NO4/c25-20(14-24-13-17-6-11-22-23(12-17)28-16-27-22)15-26-21-9-7-19(8-10-21)18-4-2-1-3-5-18/h1-12,20,24-25H,13-16H2/p+1/t20-/m0/s1