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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4Br

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4Br

InChI

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