[(2R)-3-(1,3-benzodioxol-5-ylmethoxy)-2-oxidanyl-propyl]-[(5-bromanyl-2-methoxy-phenyl)methyl]-methyl-azanium

Systemtic Name: [(2R)-3-(1,3-benzodioxol-5-ylmethoxy)-2-oxidanyl-propyl]-[(5-bromanyl-2-methoxy-phenyl)methyl]-methyl-azanium Openeye Name: [(2R)-3-(1,3-benzodioxol-5-ylmethoxy)-2-hydroxy-propyl]-[(5-bromo-2-methoxy-phenyl)methyl]-methyl-ammonium CAS Name: [(2R)-3-(1,3-benzodioxol-5-ylmethoxy)-2-hydroxypropyl]-[(5-bromo-2-methoxyphenyl)methyl]-methylammonium IUPAC Name: [(2R)-3-(1,3-benzodioxol-5-ylmethoxy)-2-hydroxypropyl]-[(5-bromo-2-methoxyphenyl)methyl]-methylazanium Traditional Name: (5-bromo-2-methoxy-benzyl)-[(2R)-2-hydroxy-3-piperonyloxy-propyl]-methyl-ammonium Formula: C20H25BrNO5+ MolecularWeight: 439.3202

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=C(C=CC(=C1)Br)OC)CC(COCC2=CC3=C(C=C2)OCO3)O

Isomeric SMILES

C[NH+](CC1=C(C=CC(=C1)Br)OC)C[C@H](COCC2=CC3=C(C=C2)OCO3)O

InChI

InChI=1S/C20H24BrNO5/c1-22(9-15-8-16(21)4-6-18(15)24-2)10-17(23)12-25-11-14-3-5-19-20(7-14)27-13-26-19/h3-8,17,23H,9-13H2,1-2H3/p+1/t17-/m1/s1