1-[4-[(4-bromophenyl)methyl]piperazin-4-ium-1-yl]-2,2-diphenyl-ethanone

Systemtic Name: 1-[4-[(4-bromophenyl)methyl]piperazin-4-ium-1-yl]-2,2-diphenyl-ethanone Openeye Name: 1-[4-[(4-bromophenyl)methyl]piperazin-4-ium-1-yl]-2,2-diphenyl-ethanone CAS Name: 1-[4-[(4-bromophenyl)methyl]-1-piperazin-4-iumyl]-2,2-diphenylethanone IUPAC Name: 1-[4-[(4-bromophenyl)methyl]piperazin-4-ium-1-yl]-2,2-diphenylethanone Traditional Name: 1-[4-(4-bromobenzyl)piperazin-4-ium-1-yl]-2,2-diphenyl-ethanone Formula: C25H26BrN2O+ MolecularWeight: 450.39074

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)Br)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)Br)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H25BrN2O/c26-23-13-11-20(12-14-23)19-27-15-17-28(18-16-27)25(29)24(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-14,24H,15-19H2/p+1