(2S,6S)-1-(4-bromophenyl)-2,6-dimethyl-piperazin-4-ium

Systemtic Name: (2S,6S)-1-(4-bromophenyl)-2,6-dimethyl-piperazin-4-ium Openeye Name: (2S,6S)-1-(4-bromophenyl)-2,6-dimethyl-piperazin-4-ium CAS Name: (2S,6S)-1-(4-bromophenyl)-2,6-dimethylpiperazin-4-ium IUPAC Name: (2S,6S)-1-(4-bromophenyl)-2,6-dimethylpiperazin-4-ium Traditional Name: (2S,6S)-1-(4-bromophenyl)-2,6-dimethyl-piperazin-4-ium Formula: C12H18BrN2+ MolecularWeight: 270.18872

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH2+]CC(N1C2=CC=C(C=C2)Br)C

Isomeric SMILES

C[C@H]1C[NH2+]C[C@@H](N1C2=CC=C(C=C2)Br)C

InChI

InChI=1S/C12H17BrN2/c1-9-7-14-8-10(2)15(9)12-5-3-11(13)4-6-12/h3-6,9-10,14H,7-8H2,1-2H3/p+1/t9-,10-/m0/s1