(2R)-1-[2-(4-bromanylphenoxy)ethoxy]-3-(4-methylpiperazine-1,4-diium-1-yl)propan-2-ol

Systemtic Name: (2R)-1-[2-(4-bromanylphenoxy)ethoxy]-3-(4-methylpiperazine-1,4-diium-1-yl)propan-2-ol Openeye Name: (2R)-1-[2-(4-bromophenoxy)ethoxy]-3-(4-methylpiperazine-1,4-diium-1-yl)propan-2-ol CAS Name: (2R)-1-[2-(4-bromophenoxy)ethoxy]-3-(4-methyl-1-piperazine-1,4-diiumyl)-2-propanol IUPAC Name: (2R)-1-[2-(4-bromophenoxy)ethoxy]-3-(4-methylpiperazine-1,4-diium-1-yl)propan-2-ol Traditional Name: (2R)-1-[2-(4-bromophenoxy)ethoxy]-3-(4-methylpiperazine-1,4-diium-1-yl)propan-2-ol Formula: C16H27BrN2O3+2 MolecularWeight: 375.30118

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CC(COCCOC2=CC=C(C=C2)Br)O

Isomeric SMILES

C[NH+]1CC[NH+](CC1)C[C@H](COCCOC2=CC=C(C=C2)Br)O

InChI

InChI=1S/C16H25BrN2O3/c1-18-6-8-19(9-7-18)12-15(20)13-21-10-11-22-16-4-2-14(17)3-5-16/h2-5,15,20H,6-13H2,1H3/p+2/t15-/m1/s1