2-[(4-cyclohexylcarbonylpiperazin-1-ium-1-yl)methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[(4-cyclohexylcarbonylpiperazin-1-ium-1-yl)methyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-(cyclohexanecarbonyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[4-[cyclohexyl(oxo)methyl]-1-piperazin-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-(cyclohexanecarbonyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[4-(cyclohexanecarbonyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Formula: C20H27N4O2+ MolecularWeight: 355.45398

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N2CC[NH+](CC2)CC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C1CCC(CC1)C(=O)N2CC[NH+](CC2)CC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C20H26N4O2/c25-19-16-8-4-5-9-17(16)21-18(22-19)14-23-10-12-24(13-11-23)20(26)15-6-2-1-3-7-15/h4-5,8-9,15H,1-3,6-7,10-14H2,(H,21,22,25)/p+1