[(2R)-3-(4-bromanylphenoxy)-2-oxidanyl-propyl]-methyl-(1-methylpiperidin-1-ium-4-yl)azanium

Systemtic Name: [(2R)-3-(4-bromanylphenoxy)-2-oxidanyl-propyl]-methyl-(1-methylpiperidin-1-ium-4-yl)azanium Openeye Name: [(2R)-3-(4-bromophenoxy)-2-hydroxy-propyl]-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium CAS Name: [(2R)-3-(4-bromophenoxy)-2-hydroxypropyl]-methyl-(1-methyl-4-piperidin-1-iumyl)ammonium IUPAC Name: [(2R)-3-(4-bromophenoxy)-2-hydroxypropyl]-methyl-(1-methylpiperidin-1-ium-4-yl)azanium Traditional Name: [(2R)-3-(4-bromophenoxy)-2-hydroxy-propyl]-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium Formula: C16H27BrN2O2+2 MolecularWeight: 359.30178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH+](C)CC(COC2=CC=C(C=C2)Br)O

Isomeric SMILES

C[NH+]1CCC(CC1)[NH+](C)C[C@H](COC2=CC=C(C=C2)Br)O

InChI

InChI=1S/C16H25BrN2O2/c1-18-9-7-14(8-10-18)19(2)11-15(20)12-21-16-5-3-13(17)4-6-16/h3-6,14-15,20H,7-12H2,1-2H3/p+2/t15-/m1/s1