(2S)-1-[2,4-bis(bromanyl)phenoxy]-3-(4-methylpiperidin-1-ium-1-yl)propan-2-ol

Systemtic Name: (2S)-1-[2,4-bis(bromanyl)phenoxy]-3-(4-methylpiperidin-1-ium-1-yl)propan-2-ol Openeye Name: (2S)-1-(2,4-dibromophenoxy)-3-(4-methylpiperidin-1-ium-1-yl)propan-2-ol CAS Name: (2S)-1-(2,4-dibromophenoxy)-3-(4-methyl-1-piperidin-1-iumyl)-2-propanol IUPAC Name: (2S)-1-(2,4-dibromophenoxy)-3-(4-methylpiperidin-1-ium-1-yl)propan-2-ol Traditional Name: (2S)-1-(2,4-dibromophenoxy)-3-(4-methylpiperidin-1-ium-1-yl)propan-2-ol Formula: C15H22Br2NO2+ MolecularWeight: 408.14868

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC(COC2=C(C=C(C=C2)Br)Br)O

Isomeric SMILES

CC1CC[NH+](CC1)C[C@@H](COC2=C(C=C(C=C2)Br)Br)O

InChI

InChI=1S/C15H21Br2NO2/c1-11-4-6-18(7-5-11)9-13(19)10-20-15-3-2-12(16)8-14(15)17/h2-3,8,11,13,19H,4-7,9-10H2,1H3/p+1/t13-/m0/s1