(2R)-2-(3-bromanylphenoxy)-1-(4-prop-2-enylpiperazin-4-ium-1-yl)propan-1-one

Systemtic Name: (2R)-2-(3-bromanylphenoxy)-1-(4-prop-2-enylpiperazin-4-ium-1-yl)propan-1-one Openeye Name: (2R)-1-(4-allylpiperazin-4-ium-1-yl)-2-(3-bromophenoxy)propan-1-one CAS Name: (2R)-2-(3-bromophenoxy)-1-(4-prop-2-enyl-1-piperazin-4-iumyl)-1-propanone IUPAC Name: (2R)-2-(3-bromophenoxy)-1-(4-prop-2-enylpiperazin-4-ium-1-yl)propan-1-one Traditional Name: (2R)-1-(4-allylpiperazin-4-ium-1-yl)-2-(3-bromophenoxy)propan-1-one Formula: C16H22BrN2O2+ MolecularWeight: 354.26208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC[NH+](CC1)CC=C)OC2=CC(=CC=C2)Br

Isomeric SMILES

C[C@H](C(=O)N1CC[NH+](CC1)CC=C)OC2=CC(=CC=C2)Br

InChI

InChI=1S/C16H21BrN2O2/c1-3-7-18-8-10-19(11-9-18)16(20)13(2)21-15-6-4-5-14(17)12-15/h3-6,12-13H,1,7-11H2,2H3/p+1/t13-/m1/s1