8-bromanyl-4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-5H-pyrimido[5,4-b]indole

Systemtic Name: 8-bromanyl-4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-5H-pyrimido[5,4-b]indole Openeye Name: 4-(4-benzhydrylpiperazin-4-ium-1-yl)-8-bromo-5H-pyrimido[5,4-b]indole CAS Name: 8-bromo-4-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-5H-pyrimido[5,4-b]indole IUPAC Name: 4-(4-benzhydrylpiperazin-4-ium-1-yl)-8-bromo-5H-pyrimido[5,4-b]indole Traditional Name: 4-(4-benzhydrylpiperazin-4-ium-1-yl)-8-bromo-5H-pyrimid[5,4-b]indole Formula: C27H25BrN5+ MolecularWeight: 499.4249

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=NC=NC5=C4NC6=C5C=C(C=C6)Br

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=NC=NC5=C4NC6=C5C=C(C=C6)Br

InChI

InChI=1S/C27H24BrN5/c28-21-11-12-23-22(17-21)24-25(31-23)27(30-18-29-24)33-15-13-32(14-16-33)26(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-12,17-18,26,31H,13-16H2/p+1