2-[[4-(diphenylmethyl)piperazine-1,4-diium-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[4-(diphenylmethyl)piperazine-1,4-diium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[(4-benzhydrylpiperazine-1,4-diium-1-yl)methyl]-1H-quinazolin-4-one CAS Name: 2-[[4-(diphenylmethyl)-1-piperazine-1,4-diiumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[(4-benzhydrylpiperazine-1,4-diium-1-yl)methyl]-1H-quinazolin-4-one Traditional Name: 2-[(4-benzhydrylpiperazine-1,4-diium-1-yl)methyl]-1H-quinazolin-4-one Formula: C26H28N4O+2 MolecularWeight: 412.52672

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=NC(=O)C3=CC=CC=C3N2)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=NC(=O)C3=CC=CC=C3N2)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H26N4O/c31-26-22-13-7-8-14-23(22)27-24(28-26)19-29-15-17-30(18-16-29)25(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-14,25H,15-19H2,(H,27,28,31)/p+2