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

Systemtic Name: 4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-5H-pyrimido[5,4-b]indole Openeye Name: 4-(4-benzhydrylpiperazin-4-ium-1-yl)-5H-pyrimido[5,4-b]indole CAS Name: 4-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-5H-pyrimido[5,4-b]indole IUPAC Name: 4-(4-benzhydrylpiperazin-4-ium-1-yl)-5H-pyrimido[5,4-b]indole Traditional Name: 4-(4-benzhydrylpiperazin-4-ium-1-yl)-5H-pyrimid[5,4-b]indole Formula: C27H26N5+ MolecularWeight: 420.52884

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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=CC=CC=C65

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=NC=NC5=C4NC6=CC=CC=C65

InChI

InChI=1S/C27H25N5/c1-3-9-20(10-4-1)26(21-11-5-2-6-12-21)31-15-17-32(18-16-31)27-25-24(28-19-29-27)22-13-7-8-14-23(22)30-25/h1-14,19,26,30H,15-18H2/p+1