1-[(3-bromophenyl)methyl]-4-[(2S)-butan-2-yl]piperazine-1,4-diium

Systemtic Name: 1-[(3-bromophenyl)methyl]-4-[(2S)-butan-2-yl]piperazine-1,4-diium Openeye Name: 1-[(3-bromophenyl)methyl]-4-[(1S)-1-methylpropyl]piperazine-1,4-diium CAS Name: 1-[(3-bromophenyl)methyl]-4-[(2S)-butan-2-yl]piperazine-1,4-diium IUPAC Name: 1-[(3-bromophenyl)methyl]-4-[(2S)-butan-2-yl]piperazine-1,4-diium Traditional Name: 1-(3-bromobenzyl)-4-[(1S)-1-methylpropyl]piperazine-1,4-diium Formula: C15H25BrN2+2 MolecularWeight: 313.2764

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH+]1CC[NH+](CC1)CC2=CC(=CC=C2)Br

Isomeric SMILES

CC[C@H](C)[NH+]1CC[NH+](CC1)CC2=CC(=CC=C2)Br

InChI

InChI=1S/C15H23BrN2/c1-3-13(2)18-9-7-17(8-10-18)12-14-5-4-6-15(16)11-14/h4-6,11,13H,3,7-10,12H2,1-2H3/p+2/t13-/m0/s1