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

Systemtic Name: 3-[[4-(4-methylpiperazin-4-ium-1-yl)carbonylphenyl]methyl]-1H-quinazoline-2,4-dione Openeye Name: 3-[[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]methyl]-1H-quinazoline-2,4-dione CAS Name: 3-[[4-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]phenyl]methyl]-1H-quinazoline-2,4-dione IUPAC Name: 3-[[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]methyl]-1H-quinazoline-2,4-dione Traditional Name: 3-[4-(4-methylpiperazin-4-ium-1-carbonyl)benzyl]-1H-quinazoline-2,4-quinone Formula: C21H23N4O3+ MolecularWeight: 379.43232

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)CN3C(=O)C4=CC=CC=C4NC3=O

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)CN3C(=O)C4=CC=CC=C4NC3=O

InChI

InChI=1S/C21H22N4O3/c1-23-10-12-24(13-11-23)19(26)16-8-6-15(7-9-16)14-25-20(27)17-4-2-3-5-18(17)22-21(25)28/h2-9H,10-14H2,1H3,(H,22,28)/p+1