1-[(3-bromophenyl)methyl]-4-propan-2-yl-piperazin-4-ium

Systemtic Name: 1-[(3-bromophenyl)methyl]-4-propan-2-yl-piperazin-4-ium Openeye Name: 1-[(3-bromophenyl)methyl]-4-isopropyl-piperazin-4-ium CAS Name: 1-[(3-bromophenyl)methyl]-4-propan-2-ylpiperazin-4-ium IUPAC Name: 1-[(3-bromophenyl)methyl]-4-propan-2-ylpiperazin-4-ium Traditional Name: 1-(3-bromobenzyl)-4-isopropyl-piperazin-4-ium Formula: C14H22BrN2+ MolecularWeight: 298.24188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)[NH+]1CCN(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+1