2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]quinazolin-4-amine

Systemtic Name: 2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]quinazolin-4-amine Openeye Name: 2-(4-benzhydrylpiperazin-4-ium-1-yl)quinazolin-4-amine CAS Name: 2-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-4-quinazolinamine IUPAC Name: 2-(4-benzhydrylpiperazin-4-ium-1-yl)quinazolin-4-amine Traditional Name: [2-(4-benzhydrylpiperazin-4-ium-1-yl)quinazolin-4-yl]amine Formula: C25H26N5+ MolecularWeight: 396.50744

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=NC5=CC=CC=C5C(=N4)N

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=NC5=CC=CC=C5C(=N4)N

InChI

InChI=1S/C25H25N5/c26-24-21-13-7-8-14-22(21)27-25(28-24)30-17-15-29(16-18-30)23(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-14,23H,15-18H2,(H2,26,27,28)/p+1