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

Systemtic Name: 1-[4-[(2-bromophenyl)methyl]piperazin-4-ium-1-yl]-2-(4-chloranylphenoxy)ethanone Openeye Name: 1-[4-[(2-bromophenyl)methyl]piperazin-4-ium-1-yl]-2-(4-chlorophenoxy)ethanone CAS Name: 1-[4-[(2-bromophenyl)methyl]-1-piperazin-4-iumyl]-2-(4-chlorophenoxy)ethanone IUPAC Name: 1-[4-[(2-bromophenyl)methyl]piperazin-4-ium-1-yl]-2-(4-chlorophenoxy)ethanone Traditional Name: 1-[4-(2-bromobenzyl)piperazin-4-ium-1-yl]-2-(4-chlorophenoxy)ethanone Formula: C19H21BrClN2O2+ MolecularWeight: 424.73924

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2Br)C(=O)COC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2Br)C(=O)COC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H20BrClN2O2/c20-18-4-2-1-3-15(18)13-22-9-11-23(12-10-22)19(24)14-25-17-7-5-16(21)6-8-17/h1-8H,9-14H2/p+1