(E)-3-(4-bromophenyl)-1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(4-bromophenyl)-1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Openeye Name: (E)-1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-(4-bromophenyl)prop-2-en-1-one CAS Name: (E)-3-(4-bromophenyl)-1-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-propen-1-one IUPAC Name: (E)-1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-(4-bromophenyl)prop-2-en-1-one Traditional Name: (E)-1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-(4-bromophenyl)prop-2-en-1-one Formula: C26H26BrN2O+ MolecularWeight: 462.40144

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C=CC4=CC=C(C=C4)Br

Isomeric SMILES

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

InChI

InChI=1S/C26H25BrN2O/c27-24-14-11-21(12-15-24)13-16-25(30)28-17-19-29(20-18-28)26(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-16,26H,17-20H2/p+1/b16-13+