2-[[4-[4-(4-tert-butylphenoxy)butanoyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[4-[4-(4-tert-butylphenoxy)butanoyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-[4-(4-tert-butylphenoxy)butanoyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[4-[4-(4-tert-butylphenoxy)-1-oxobutyl]-1-piperazin-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-[4-(4-tert-butylphenoxy)butanoyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[4-[4-(4-tert-butylphenoxy)butanoyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Formula: C27H35N4O3+ MolecularWeight: 463.5918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34N4O3/c1-27(2,3)20-10-12-21(13-11-20)34-18-6-9-25(32)31-16-14-30(15-17-31)19-24-28-23-8-5-4-7-22(23)26(33)29-24/h4-5,7-8,10-13H,6,9,14-19H2,1-3H3,(H,28,29,33)/p+1