(3S)-3-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]thiolane 1,1-dioxide

Systemtic Name: (3S)-3-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]thiolane 1,1-dioxide Openeye Name: (3S)-3-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]thiolane 1,1-dioxide CAS Name: (3S)-3-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]thiolane 1,1-dioxide IUPAC Name: (3S)-3-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]thiolane 1,1-dioxide Traditional Name: (3S)-3-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]sulfolane Formula: C14H20N3O4S+ MolecularWeight: 326.3913

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CS(=O)(=O)C[C@H]1[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H19N3O4S/c18-17(19)13-3-1-12(2-4-13)15-6-8-16(9-7-15)14-5-10-22(20,21)11-14/h1-4,14H,5-11H2/p+1/t14-/m0/s1