2-(4-bromophenyl)-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(4-bromophenyl)-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(4-bromophenyl)-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethanone CAS Name: 2-(4-bromophenyl)-1-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(4-bromophenyl)-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(4-bromophenyl)-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethanone Formula: C18H21BrN3O+ MolecularWeight: 375.28284

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)CC3=CC=C(C=C3)Br

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C18H20BrN3O/c19-17-3-1-15(2-4-17)13-18(23)22-11-9-21(10-12-22)14-16-5-7-20-8-6-16/h1-8H,9-14H2/p+1