[(2S)-2-(2-bromophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]azanium

Systemtic Name: [(2S)-2-(2-bromophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]azanium Openeye Name: [(2S)-2-(2-bromophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]ammonium CAS Name: [(2S)-2-(2-bromophenyl)-2-(4-methyl-1-piperazin-4-iumyl)ethyl]ammonium IUPAC Name: [(2S)-2-(2-bromophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]azanium Traditional Name: [(2S)-2-(2-bromophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]ammonium Formula: C13H22BrN3+2 MolecularWeight: 300.23788

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(C[NH3+])C2=CC=CC=C2Br

Isomeric SMILES

C[NH+]1CCN(CC1)[C@H](C[NH3+])C2=CC=CC=C2Br

InChI

InChI=1S/C13H20BrN3/c1-16-6-8-17(9-7-16)13(10-15)11-4-2-3-5-12(11)14/h2-5,13H,6-10,15H2,1H3/p+2/t13-/m1/s1