1-[(3-bromophenyl)methyl]-4-(pyridin-1-ium-2-ylmethyl)piperazine-1,4-diium

Systemtic Name: 1-[(3-bromophenyl)methyl]-4-(pyridin-1-ium-2-ylmethyl)piperazine-1,4-diium Openeye Name: 1-[(3-bromophenyl)methyl]-4-(pyridin-1-ium-2-ylmethyl)piperazine-1,4-diium CAS Name: 1-[(3-bromophenyl)methyl]-4-(2-pyridin-1-iumylmethyl)piperazine-1,4-diium IUPAC Name: 1-[(3-bromophenyl)methyl]-4-(pyridin-1-ium-2-ylmethyl)piperazine-1,4-diium Traditional Name: 1-(3-bromobenzyl)-4-(pyridin-1-ium-2-ylmethyl)piperazine-1,4-diium Formula: C17H23BrN3+3 MolecularWeight: 349.28862

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC(=CC=C2)Br)CC3=CC=CC=[NH+]3

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC(=CC=C2)Br)CC3=CC=CC=[NH+]3

InChI

InChI=1S/C17H20BrN3/c18-16-5-3-4-15(12-16)13-20-8-10-21(11-9-20)14-17-6-1-2-7-19-17/h1-7,12H,8-11,13-14H2/p+3