3-[3-[4-(3-methylphenyl)piperazin-1-ium-1-yl]propyl]-1H-quinazoline-2,4-dione

Systemtic Name: 3-[3-[4-(3-methylphenyl)piperazin-1-ium-1-yl]propyl]-1H-quinazoline-2,4-dione Openeye Name: 3-[3-[4-(m-tolyl)piperazin-1-ium-1-yl]propyl]-1H-quinazoline-2,4-dione CAS Name: 3-[3-[4-(3-methylphenyl)-1-piperazin-1-iumyl]propyl]-1H-quinazoline-2,4-dione IUPAC Name: 3-[3-[4-(3-methylphenyl)piperazin-1-ium-1-yl]propyl]-1H-quinazoline-2,4-dione Traditional Name: 3-[3-[4-(m-tolyl)piperazin-1-ium-1-yl]propyl]-1H-quinazoline-2,4-quinone Formula: C22H27N4O2+ MolecularWeight: 379.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CC[NH+](CC2)CCCN3C(=O)C4=CC=CC=C4NC3=O

Isomeric SMILES

CC1=CC(=CC=C1)N2CC[NH+](CC2)CCCN3C(=O)C4=CC=CC=C4NC3=O

InChI

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