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

Systemtic Name: 1-[(3-bromophenyl)methyl]-4-propan-2-yl-piperazine-1,4-diium Openeye Name: 1-[(3-bromophenyl)methyl]-4-isopropyl-piperazine-1,4-diium CAS Name: 1-[(3-bromophenyl)methyl]-4-propan-2-ylpiperazine-1,4-diium IUPAC Name: 1-[(3-bromophenyl)methyl]-4-propan-2-ylpiperazine-1,4-diium Traditional Name: 1-(3-bromobenzyl)-4-isopropyl-piperazine-1,4-diium Formula: C14H23BrN2+2 MolecularWeight: 299.24982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21BrN2/c1-12(2)17-8-6-16(7-9-17)11-13-4-3-5-14(15)10-13/h3-5,10,12H,6-9,11H2,1-2H3/p+2