1-[[4-(diphenylmethyl)piperazine-1,4-diium-1-yl]methyl]cinnolin-4-one

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CN2C3=CC=CC=C3C(=O)C=N2)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CC[NH+]1CN2C3=CC=CC=C3C(=O)C=N2)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

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