2-[[4-[[4-fluoranyl-3-(methoxymethyl)-1-benzothiophen-2-yl]carbonyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[4-[[4-fluoranyl-3-(methoxymethyl)-1-benzothiophen-2-yl]carbonyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-[4-fluoro-3-(methoxymethyl)benzothiophene-2-carbonyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[4-[[4-fluoro-3-(methoxymethyl)-1-benzothiophen-2-yl]-oxomethyl]-1-piperazin-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-[4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carbonyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[4-[4-fluoro-3-(methoxymethyl)benzothiophene-2-carbonyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Formula: C24H24FN4O3S+ MolecularWeight: 467.535763

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C(SC2=CC=CC(=C21)F)C(=O)N3CC[NH+](CC3)CC4=NC(=O)C5=CC=CC=C5N4

Isomeric SMILES

COCC1=C(SC2=CC=CC(=C21)F)C(=O)N3CC[NH+](CC3)CC4=NC(=O)C5=CC=CC=C5N4

InChI

InChI=1S/C24H23FN4O3S/c1-32-14-16-21-17(25)6-4-8-19(21)33-22(16)24(31)29-11-9-28(10-12-29)13-20-26-18-7-3-2-5-15(18)23(30)27-20/h2-8H,9-14H2,1H3,(H,26,27,30)/p+1