1-[1-[(2-bromophenyl)methyl]piperidin-1-ium-4-yl]-4-ethyl-piperazine-1,4-diium

Systemtic Name: 1-[1-[(2-bromophenyl)methyl]piperidin-1-ium-4-yl]-4-ethyl-piperazine-1,4-diium Openeye Name: 1-[1-[(2-bromophenyl)methyl]piperidin-1-ium-4-yl]-4-ethyl-piperazine-1,4-diium CAS Name: 1-[1-[(2-bromophenyl)methyl]-4-piperidin-1-iumyl]-4-ethylpiperazine-1,4-diium IUPAC Name: 1-[1-[(2-bromophenyl)methyl]piperidin-1-ium-4-yl]-4-ethylpiperazine-1,4-diium Traditional Name: 1-[1-(2-bromobenzyl)piperidin-1-ium-4-yl]-4-ethyl-piperazine-1,4-diium Formula: C18H31BrN3+3 MolecularWeight: 369.36284

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)C2CC[NH+](CC2)CC3=CC=CC=C3Br

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)C2CC[NH+](CC2)CC3=CC=CC=C3Br

InChI

InChI=1S/C18H28BrN3/c1-2-20-11-13-22(14-12-20)17-7-9-21(10-8-17)15-16-5-3-4-6-18(16)19/h3-6,17H,2,7-15H2,1H3/p+3