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

Systemtic Name: 1-[(4-bromophenyl)methyl]-4-(pyridin-1-ium-4-ylmethyl)piperazine-1,4-diium Openeye Name: 1-[(4-bromophenyl)methyl]-4-(pyridin-1-ium-4-ylmethyl)piperazine-1,4-diium CAS Name: 1-[(4-bromophenyl)methyl]-4-(4-pyridin-1-iumylmethyl)piperazine-1,4-diium IUPAC Name: 1-[(4-bromophenyl)methyl]-4-(pyridin-1-ium-4-ylmethyl)piperazine-1,4-diium Traditional Name: 1-(4-bromobenzyl)-4-(pyridin-1-ium-4-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=C(C=C2)Br)CC3=CC=[NH+]C=C3

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=C(C=C2)Br)CC3=CC=[NH+]C=C3

InChI

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