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

Systemtic Name: (3-bromophenyl)-[4-(diphenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(3-bromophenyl)methanone CAS Name: (3-bromophenyl)-[4-(diphenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(3-bromophenyl)methanone Traditional Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(3-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=C4)Br

Isomeric SMILES

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

InChI

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