[4-[(2-bromophenyl)methyl]piperazin-4-ium-1-yl]-(2,4-dichlorophenyl)methanone

Systemtic Name: [4-[(2-bromophenyl)methyl]piperazin-4-ium-1-yl]-(2,4-dichlorophenyl)methanone Openeye Name: [4-[(2-bromophenyl)methyl]piperazin-4-ium-1-yl]-(2,4-dichlorophenyl)methanone CAS Name: [4-[(2-bromophenyl)methyl]-1-piperazin-4-iumyl]-(2,4-dichlorophenyl)methanone IUPAC Name: [4-[(2-bromophenyl)methyl]piperazin-4-ium-1-yl]-(2,4-dichlorophenyl)methanone Traditional Name: [4-(2-bromobenzyl)piperazin-4-ium-1-yl]-(2,4-dichlorophenyl)methanone Formula: C18H18BrCl2N2O+ MolecularWeight: 429.15832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17BrCl2N2O/c19-16-4-2-1-3-13(16)12-22-7-9-23(10-8-22)18(24)15-6-5-14(20)11-17(15)21/h1-6,11H,7-10,12H2/p+1