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

Systemtic Name: 1-[1-[(2-bromophenyl)methyl]piperidin-1-ium-4-yl]-4-methyl-piperazine-1,4-diium Openeye Name: 1-[1-[(2-bromophenyl)methyl]piperidin-1-ium-4-yl]-4-methyl-piperazine-1,4-diium CAS Name: 1-[1-[(2-bromophenyl)methyl]-4-piperidin-1-iumyl]-4-methylpiperazine-1,4-diium IUPAC Name: 1-[1-[(2-bromophenyl)methyl]piperidin-1-ium-4-yl]-4-methylpiperazine-1,4-diium Traditional Name: 1-[1-(2-bromobenzyl)piperidin-1-ium-4-yl]-4-methyl-piperazine-1,4-diium Formula: C17H29BrN3+3 MolecularWeight: 355.33626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26BrN3/c1-19-10-12-21(13-11-19)16-6-8-20(9-7-16)14-15-4-2-3-5-17(15)18/h2-5,16H,6-14H2,1H3/p+3