3-[[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl]quinazolin-4-one

Systemtic Name: 3-[[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl]quinazolin-4-one Openeye Name: 3-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]quinazolin-4-one CAS Name: 3-[[4-(diphenylmethyl)-1-piperazin-1-iumyl]methyl]-4-quinazolinone IUPAC Name: 3-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]quinazolin-4-one Traditional Name: 3-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]quinazolin-4-one Formula: C26H27N4O+ MolecularWeight: 411.51878

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C=NC3=CC=CC=C3C2=O)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CN2C=NC3=CC=CC=C3C2=O)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

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