3-[3-oxidanylidene-3-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]propyl]quinazolin-4-one

Systemtic Name: 3-[3-oxidanylidene-3-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]propyl]quinazolin-4-one Openeye Name: 3-[3-oxo-3-[4-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]propyl]quinazolin-4-one CAS Name: 3-[3-oxo-3-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-piperazin-4-iumyl]propyl]-4-quinazolinone IUPAC Name: 3-[3-oxo-3-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]propyl]quinazolin-4-one Traditional Name: 3-[3-keto-3-[4-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]propyl]quinazolin-4-one Formula: C22H23N6O3S+ MolecularWeight: 451.52142

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=NO2)C3=CC=CS3)C(=O)CCN4C=NC5=CC=CC=C5C4=O

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=NO2)C3=CC=CS3)C(=O)CCN4C=NC5=CC=CC=C5C4=O

InChI

InChI=1S/C22H22N6O3S/c29-20(7-8-28-15-23-17-5-2-1-4-16(17)22(28)30)27-11-9-26(10-12-27)14-19-24-21(25-31-19)18-6-3-13-32-18/h1-6,13,15H,7-12,14H2/p+1