2-(4-bromanyl-2-chloranyl-phenoxy)-1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(4-bromanyl-2-chloranyl-phenoxy)-1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(4-bromo-2-chloro-phenoxy)ethanone CAS Name: 2-(4-bromo-2-chlorophenoxy)-1-[4-(diphenylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(4-bromo-2-chlorophenoxy)ethanone Traditional Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(4-bromo-2-chloro-phenoxy)ethanone Formula: C25H25BrClN2O2+ MolecularWeight: 500.8352

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)COC4=C(C=C(C=C4)Br)Cl

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)COC4=C(C=C(C=C4)Br)Cl

InChI

InChI=1S/C25H24BrClN2O2/c26-21-11-12-23(22(27)17-21)31-18-24(30)28-13-15-29(16-14-28)25(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-12,17,25H,13-16,18H2/p+1