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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(2S)-3-(4-bromanylphenoxy)-2-oxidanyl-propyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(2S)-3-(4-bromophenoxy)-2-hydroxy-propyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(2S)-3-(4-bromophenoxy)-2-hydroxypropyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(2S)-3-(4-bromophenoxy)-2-hydroxypropyl]azanium Traditional Name: [(2S)-3-(4-bromophenoxy)-2-hydroxy-propyl]-piperonyl-ammonium Formula: C17H19BrNO4+ MolecularWeight: 381.24106

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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)Br)O

Isomeric SMILES

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

InChI

InChI=1S/C17H18BrNO4/c18-13-2-4-15(5-3-13)21-10-14(20)9-19-8-12-1-6-16-17(7-12)23-11-22-16/h1-7,14,19-20H,8-11H2/p+1/t14-/m0/s1