(5-bromanyl-2-methoxy-phenyl)methyl-[(2R)-3-(4-bromanylphenoxy)-2-oxidanyl-propyl]-methyl-azanium

Systemtic Name: (5-bromanyl-2-methoxy-phenyl)methyl-[(2R)-3-(4-bromanylphenoxy)-2-oxidanyl-propyl]-methyl-azanium Openeye Name: (5-bromo-2-methoxy-phenyl)methyl-[(2R)-3-(4-bromophenoxy)-2-hydroxy-propyl]-methyl-ammonium CAS Name: (5-bromo-2-methoxyphenyl)methyl-[(2R)-3-(4-bromophenoxy)-2-hydroxypropyl]-methylammonium IUPAC Name: (5-bromo-2-methoxyphenyl)methyl-[(2R)-3-(4-bromophenoxy)-2-hydroxypropyl]-methylazanium Traditional Name: (5-bromo-2-methoxy-benzyl)-[(2R)-3-(4-bromophenoxy)-2-hydroxy-propyl]-methyl-ammonium Formula: C18H22Br2NO3+ MolecularWeight: 460.18018

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=C(C=CC(=C1)Br)OC)CC(COC2=CC=C(C=C2)Br)O

Isomeric SMILES

C[NH+](CC1=C(C=CC(=C1)Br)OC)C[C@H](COC2=CC=C(C=C2)Br)O

InChI

InChI=1S/C18H21Br2NO3/c1-21(10-13-9-15(20)5-8-18(13)23-2)11-16(22)12-24-17-6-3-14(19)4-7-17/h3-9,16,22H,10-12H2,1-2H3/p+1/t16-/m1/s1