3-[3-[(2S)-4-methyl-2-phenyl-piperazine-1,4-diium-1-yl]propyl]-1H-quinazoline-2,4-dione

Systemtic Name: 3-[3-[(2S)-4-methyl-2-phenyl-piperazine-1,4-diium-1-yl]propyl]-1H-quinazoline-2,4-dione Openeye Name: 3-[3-[(2S)-4-methyl-2-phenyl-piperazine-1,4-diium-1-yl]propyl]-1H-quinazoline-2,4-dione CAS Name: 3-[3-[(2S)-4-methyl-2-phenyl-1-piperazine-1,4-diiumyl]propyl]-1H-quinazoline-2,4-dione IUPAC Name: 3-[3-[(2S)-4-methyl-2-phenylpiperazine-1,4-diium-1-yl]propyl]-1H-quinazoline-2,4-dione Traditional Name: 3-[3-[(2S)-4-methyl-2-phenyl-piperazine-1,4-diium-1-yl]propyl]-1H-quinazoline-2,4-quinone Formula: C22H28N4O2+2 MolecularWeight: 380.48332

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](C(C1)C2=CC=CC=C2)CCCN3C(=O)C4=CC=CC=C4NC3=O

Isomeric SMILES

C[NH+]1CC[NH+]([C@H](C1)C2=CC=CC=C2)CCCN3C(=O)C4=CC=CC=C4NC3=O

InChI

InChI=1S/C22H26N4O2/c1-24-14-15-25(20(16-24)17-8-3-2-4-9-17)12-7-13-26-21(27)18-10-5-6-11-19(18)23-22(26)28/h2-6,8-11,20H,7,12-16H2,1H3,(H,23,28)/p+2/t20-/m1/s1