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

Systemtic Name: 2-[4-[(4-bromophenyl)methyl]piperazin-4-ium-1-yl]ethylazanium Openeye Name: 2-[4-[(4-bromophenyl)methyl]piperazin-4-ium-1-yl]ethylammonium CAS Name: 2-[4-[(4-bromophenyl)methyl]-1-piperazin-4-iumyl]ethylammonium IUPAC Name: 2-[4-[(4-bromophenyl)methyl]piperazin-4-ium-1-yl]ethylazanium Traditional Name: 2-[4-(4-bromobenzyl)piperazin-4-ium-1-yl]ethylammonium Formula: C13H22BrN3+2 MolecularWeight: 300.23788

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)Br)CC[NH3+]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)Br)CC[NH3+]

InChI

InChI=1S/C13H20BrN3/c14-13-3-1-12(2-4-13)11-17-9-7-16(6-5-15)8-10-17/h1-4H,5-11,15H2/p+2