1-(3,4-dimethylphenyl)-5-[(4-methylpiperazin-4-ium-1-yl)methylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: 1-(3,4-dimethylphenyl)-5-[(4-methylpiperazin-4-ium-1-yl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-(3,4-dimethylphenyl)-5-[(4-methylpiperazin-4-ium-1-yl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-(3,4-dimethylphenyl)-5-[(4-methyl-1-piperazin-4-iumyl)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-(3,4-dimethylphenyl)-5-[(4-methylpiperazin-4-ium-1-yl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-(3,4-dimethylphenyl)-5-[(4-methylpiperazin-4-ium-1-yl)methylene]barbituric acid Formula: C18H23N4O3+ MolecularWeight: 343.40022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C(=CN3CC[NH+](CC3)C)C(=O)NC2=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C(=CN3CC[NH+](CC3)C)C(=O)NC2=O)C

InChI

InChI=1S/C18H22N4O3/c1-12-4-5-14(10-13(12)2)22-17(24)15(16(23)19-18(22)25)11-21-8-6-20(3)7-9-21/h4-5,10-11H,6-9H2,1-3H3,(H,19,23,25)/p+1