2-[[4-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[4-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[4-[(3S)-1,1-dioxo-3-thiolanyl]-1-piperazin-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[4-[(3S)-1,1-diketothiolan-3-yl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Formula: C17H23N4O3S+ MolecularWeight: 363.45452

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1N2CC[NH+](CC2)CC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C1CS(=O)(=O)C[C@H]1N2CC[NH+](CC2)CC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C17H22N4O3S/c22-17-14-3-1-2-4-15(14)18-16(19-17)11-20-6-8-21(9-7-20)13-5-10-25(23,24)12-13/h1-4,13H,5-12H2,(H,18,19,22)/p+1/t13-/m0/s1