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

Systemtic Name: 3-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethyl]-1H-quinazoline-2,4-dione Openeye Name: 3-[2-[4-(m-tolyl)piperazin-1-ium-1-yl]ethyl]-1H-quinazoline-2,4-dione CAS Name: 3-[2-[4-(3-methylphenyl)-1-piperazin-1-iumyl]ethyl]-1H-quinazoline-2,4-dione IUPAC Name: 3-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethyl]-1H-quinazoline-2,4-dione Traditional Name: 3-[2-[4-(m-tolyl)piperazin-1-ium-1-yl]ethyl]-1H-quinazoline-2,4-quinone Formula: C21H25N4O2+ MolecularWeight: 365.4488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CC[NH+](CC2)CCN3C(=O)C4=CC=CC=C4NC3=O

Isomeric SMILES

CC1=CC(=CC=C1)N2CC[NH+](CC2)CCN3C(=O)C4=CC=CC=C4NC3=O

InChI

InChI=1S/C21H24N4O2/c1-16-5-4-6-17(15-16)24-12-9-23(10-13-24)11-14-25-20(26)18-7-2-3-8-19(18)22-21(25)27/h2-8,15H,9-14H2,1H3,(H,22,27)/p+1