(3S)-3-[4-(2-thiophen-2-ylquinazolin-4-yl)piperazin-1-ium-1-yl]thiolane 1,1-dioxide

Systemtic Name: (3S)-3-[4-(2-thiophen-2-ylquinazolin-4-yl)piperazin-1-ium-1-yl]thiolane 1,1-dioxide Openeye Name: (3S)-3-[4-[2-(2-thienyl)quinazolin-4-yl]piperazin-1-ium-1-yl]thiolane 1,1-dioxide CAS Name: (3S)-3-[4-(2-thiophen-2-yl-4-quinazolinyl)-1-piperazin-1-iumyl]thiolane 1,1-dioxide IUPAC Name: (3S)-3-[4-(2-thiophen-2-ylquinazolin-4-yl)piperazin-1-ium-1-yl]thiolane 1,1-dioxide Traditional Name: (3S)-3-[4-[2-(2-thienyl)quinazolin-4-yl]piperazin-1-ium-1-yl]sulfolane Formula: C20H23N4O2S2+ MolecularWeight: 415.55222

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1[NH+]2CCN(CC2)C3=NC(=NC4=CC=CC=C43)C5=CC=CS5

Isomeric SMILES

C1CS(=O)(=O)C[C@H]1[NH+]2CCN(CC2)C3=NC(=NC4=CC=CC=C43)C5=CC=CS5

InChI

InChI=1S/C20H22N4O2S2/c25-28(26)13-7-15(14-28)23-8-10-24(11-9-23)20-16-4-1-2-5-17(16)21-19(22-20)18-6-3-12-27-18/h1-6,12,15H,7-11,13-14H2/p+1/t15-/m0/s1