2-(4-bromanylphenoxy)-1-[4-[[(1S)-cyclohex-3-en-1-yl]methyl]piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(4-bromanylphenoxy)-1-[4-[[(1S)-cyclohex-3-en-1-yl]methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(4-bromophenoxy)-1-[4-[[(1S)-cyclohex-3-en-1-yl]methyl]piperazin-4-ium-1-yl]ethanone CAS Name: 2-(4-bromophenoxy)-1-[4-[[(1S)-1-cyclohex-3-enyl]methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(4-bromophenoxy)-1-[4-[[(1S)-cyclohex-3-en-1-yl]methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(4-bromophenoxy)-1-[4-[[(1S)-cyclohex-3-en-1-yl]methyl]piperazin-4-ium-1-yl]ethanone Formula: C19H26BrN2O2+ MolecularWeight: 394.32594

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC=C1)C[NH+]2CCN(CC2)C(=O)COC3=CC=C(C=C3)Br

Isomeric SMILES

C1C[C@@H](CC=C1)C[NH+]2CCN(CC2)C(=O)COC3=CC=C(C=C3)Br

InChI

InChI=1S/C19H25BrN2O2/c20-17-6-8-18(9-7-17)24-15-19(23)22-12-10-21(11-13-22)14-16-4-2-1-3-5-16/h1-2,6-9,16H,3-5,10-15H2/p+1/t16-/m1/s1