5-bromanyl-2-[4-(triphenylmethyl)piperazin-4-ium-1-yl]pyrimidine

Systemtic Name: 5-bromanyl-2-[4-(triphenylmethyl)piperazin-4-ium-1-yl]pyrimidine Openeye Name: 5-bromo-2-(4-tritylpiperazin-4-ium-1-yl)pyrimidine CAS Name: 5-bromo-2-[4-(triphenylmethyl)-1-piperazin-4-iumyl]pyrimidine IUPAC Name: 5-bromo-2-(4-tritylpiperazin-4-ium-1-yl)pyrimidine Traditional Name: 5-bromo-2-(4-tritylpiperazin-4-ium-1-yl)pyrimidine Formula: C27H26BrN4+ MolecularWeight: 486.42614

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=NC=C(C=N5)Br

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=NC=C(C=N5)Br

InChI

InChI=1S/C27H25BrN4/c28-25-20-29-26(30-21-25)31-16-18-32(19-17-31)27(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-15,20-21H,16-19H2/p+1