(2S)-1-(4-bromanylphenoxy)-3-(4-methylpiperazin-4-ium-1-yl)propan-2-ol

Systemtic Name: (2S)-1-(4-bromanylphenoxy)-3-(4-methylpiperazin-4-ium-1-yl)propan-2-ol Openeye Name: (2S)-1-(4-bromophenoxy)-3-(4-methylpiperazin-4-ium-1-yl)propan-2-ol CAS Name: (2S)-1-(4-bromophenoxy)-3-(4-methyl-1-piperazin-4-iumyl)-2-propanol IUPAC Name: (2S)-1-(4-bromophenoxy)-3-(4-methylpiperazin-4-ium-1-yl)propan-2-ol Traditional Name: (2S)-1-(4-bromophenoxy)-3-(4-methylpiperazin-4-ium-1-yl)propan-2-ol Formula: C14H22BrN2O2+ MolecularWeight: 330.24068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21BrN2O2/c1-16-6-8-17(9-7-16)10-13(18)11-19-14-4-2-12(15)3-5-14/h2-5,13,18H,6-11H2,1H3/p+1/t13-/m0/s1