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

Systemtic Name: 1-[(2-bromophenyl)methyl]-4-pentan-3-yl-piperazine-1,4-diium Openeye Name: 1-[(2-bromophenyl)methyl]-4-(1-ethylpropyl)piperazine-1,4-diium CAS Name: 1-[(2-bromophenyl)methyl]-4-pentan-3-ylpiperazine-1,4-diium IUPAC Name: 1-[(2-bromophenyl)methyl]-4-pentan-3-ylpiperazine-1,4-diium Traditional Name: 1-(2-bromobenzyl)-4-(1-ethylpropyl)piperazine-1,4-diium Formula: C16H27BrN2+2 MolecularWeight: 327.30298

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)[NH+]1CC[NH+](CC1)CC2=CC=CC=C2Br

Isomeric SMILES

CCC(CC)[NH+]1CC[NH+](CC1)CC2=CC=CC=C2Br

InChI

InChI=1S/C16H25BrN2/c1-3-15(4-2)19-11-9-18(10-12-19)13-14-7-5-6-8-16(14)17/h5-8,15H,3-4,9-13H2,1-2H3/p+2