[4-[(4-bromophenyl)methyl]piperazin-4-ium-1-yl]-(3-chlorophenyl)methanone

Systemtic Name: [4-[(4-bromophenyl)methyl]piperazin-4-ium-1-yl]-(3-chlorophenyl)methanone Openeye Name: [4-[(4-bromophenyl)methyl]piperazin-4-ium-1-yl]-(3-chlorophenyl)methanone CAS Name: [4-[(4-bromophenyl)methyl]-1-piperazin-4-iumyl]-(3-chlorophenyl)methanone IUPAC Name: [4-[(4-bromophenyl)methyl]piperazin-4-ium-1-yl]-(3-chlorophenyl)methanone Traditional Name: [4-(4-bromobenzyl)piperazin-4-ium-1-yl]-(3-chlorophenyl)methanone Formula: C18H19BrClN2O+ MolecularWeight: 394.71326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrClN2O/c19-16-6-4-14(5-7-16)13-21-8-10-22(11-9-21)18(23)15-2-1-3-17(20)12-15/h1-7,12H,8-11,13H2/p+1