3-[[2-[(4-phenylpiperazin-1-ium-1-yl)methyl]phenyl]methyl]-1H-quinazoline-2,4-dione

Systemtic Name: 3-[[2-[(4-phenylpiperazin-1-ium-1-yl)methyl]phenyl]methyl]-1H-quinazoline-2,4-dione Openeye Name: 3-[[2-[(4-phenylpiperazin-1-ium-1-yl)methyl]phenyl]methyl]-1H-quinazoline-2,4-dione CAS Name: 3-[[2-[(4-phenyl-1-piperazin-1-iumyl)methyl]phenyl]methyl]-1H-quinazoline-2,4-dione IUPAC Name: 3-[[2-[(4-phenylpiperazin-1-ium-1-yl)methyl]phenyl]methyl]-1H-quinazoline-2,4-dione Traditional Name: 3-[2-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzyl]-1H-quinazoline-2,4-quinone Formula: C26H27N4O2+ MolecularWeight: 427.51818

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2CN3C(=O)C4=CC=CC=C4NC3=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2CN3C(=O)C4=CC=CC=C4NC3=O)C5=CC=CC=C5

InChI

InChI=1S/C26H26N4O2/c31-25-23-12-6-7-13-24(23)27-26(32)30(25)19-21-9-5-4-8-20(21)18-28-14-16-29(17-15-28)22-10-2-1-3-11-22/h1-13H,14-19H2,(H,27,32)/p+1