1-[1-[(3-bromophenyl)methyl]piperidin-1-ium-4-yl]-4-methyl-piperazine-1,4-diium

Systemtic Name: 1-[1-[(3-bromophenyl)methyl]piperidin-1-ium-4-yl]-4-methyl-piperazine-1,4-diium Openeye Name: 1-[1-[(3-bromophenyl)methyl]piperidin-1-ium-4-yl]-4-methyl-piperazine-1,4-diium CAS Name: 1-[1-[(3-bromophenyl)methyl]-4-piperidin-1-iumyl]-4-methylpiperazine-1,4-diium IUPAC Name: 1-[1-[(3-bromophenyl)methyl]piperidin-1-ium-4-yl]-4-methylpiperazine-1,4-diium Traditional Name: 1-[1-(3-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=C3)Br

Isomeric SMILES

C[NH+]1CC[NH+](CC1)C2CC[NH+](CC2)CC3=CC(=CC=C3)Br

InChI

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