1,3-bis[2-oxidanyl-3-[4-(3-phenylprop-2-enyl)piperazine-1,4-diium-1-yl]propyl]quinazoline-2,4-dione

Systemtic Name: 1,3-bis[2-oxidanyl-3-[4-(3-phenylprop-2-enyl)piperazine-1,4-diium-1-yl]propyl]quinazoline-2,4-dione Openeye Name: 1,3-bis[3-(4-cinnamylpiperazine-1,4-diium-1-yl)-2-hydroxy-propyl]quinazoline-2,4-dione CAS Name: 1,3-bis[2-hydroxy-3-[4-(3-phenylprop-2-enyl)-1-piperazine-1,4-diiumyl]propyl]quinazoline-2,4-dione IUPAC Name: 1,3-bis[2-hydroxy-3-[4-(3-phenylprop-2-enyl)piperazine-1,4-diium-1-yl]propyl]quinazoline-2,4-dione Traditional Name: 1,3-bis[3-(4-cinnamylpiperazine-1,4-diium-1-yl)-2-hydroxy-propyl]quinazoline-2,4-quinone Formula: C40H54N6O4+4 MolecularWeight: 682.89456

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC=CC2=CC=CC=C2)CC(CN3C4=CC=CC=C4C(=O)N(C3=O)CC(C[NH+]5CC[NH+](CC5)CC=CC6=CC=CC=C6)O)O

Isomeric SMILES

C1C[NH+](CC[NH+]1CC=CC2=CC=CC=C2)CC(CN3C4=CC=CC=C4C(=O)N(C3=O)CC(C[NH+]5CC[NH+](CC5)CC=CC6=CC=CC=C6)O)O

InChI

InChI=1S/C40H50N6O4/c47-35(29-43-25-21-41(22-26-43)19-9-15-33-11-3-1-4-12-33)31-45-38-18-8-7-17-37(38)39(49)46(40(45)50)32-36(48)30-44-27-23-42(24-28-44)20-10-16-34-13-5-2-6-14-34/h1-18,35-36,47-48H,19-32H2/p+4