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

Systemtic Name: [4-[(2-bromophenyl)methyl]piperazin-4-ium-1-yl]-(4-phenylphenyl)methanone Openeye Name: [4-[(2-bromophenyl)methyl]piperazin-4-ium-1-yl]-(4-phenylphenyl)methanone CAS Name: [4-[(2-bromophenyl)methyl]-1-piperazin-4-iumyl]-(4-phenylphenyl)methanone IUPAC Name: [4-[(2-bromophenyl)methyl]piperazin-4-ium-1-yl]-(4-phenylphenyl)methanone Traditional Name: [4-(2-bromobenzyl)piperazin-4-ium-1-yl]-(4-phenylphenyl)methanone Formula: C24H24BrN2O+ MolecularWeight: 436.36416

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2Br)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2Br)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H23BrN2O/c25-23-9-5-4-8-22(23)18-26-14-16-27(17-15-26)24(28)21-12-10-20(11-13-21)19-6-2-1-3-7-19/h1-13H,14-18H2/p+1