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

Systemtic Name: [4-[(3-bromophenyl)methyl]piperazin-4-ium-1-yl]-(3-chlorophenyl)methanone Openeye Name: [4-[(3-bromophenyl)methyl]piperazin-4-ium-1-yl]-(3-chlorophenyl)methanone CAS Name: [4-[(3-bromophenyl)methyl]-1-piperazin-4-iumyl]-(3-chlorophenyl)methanone IUPAC Name: [4-[(3-bromophenyl)methyl]piperazin-4-ium-1-yl]-(3-chlorophenyl)methanone Traditional Name: [4-(3-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(=CC=C2)Br)C(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

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

InChI

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