2-[[4-(4-tert-butylphenyl)carbonylpiperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[4-(4-tert-butylphenyl)carbonylpiperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-(4-tert-butylbenzoyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[4-[(4-tert-butylphenyl)-oxomethyl]-1-piperazin-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-(4-tert-butylbenzoyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[4-(4-tert-butylbenzoyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Formula: C24H29N4O2+ MolecularWeight: 405.51266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C24H28N4O2/c1-24(2,3)18-10-8-17(9-11-18)23(30)28-14-12-27(13-15-28)16-21-25-20-7-5-4-6-19(20)22(29)26-21/h4-11H,12-16H2,1-3H3,(H,25,26,29)/p+1