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

Systemtic Name: (3S)-3-[4-[(2-phenoxyphenyl)methyl]piperazin-1-ium-1-yl]thiolane 1,1-dioxide Openeye Name: (3S)-3-[4-[(2-phenoxyphenyl)methyl]piperazin-1-ium-1-yl]thiolane 1,1-dioxide CAS Name: (3S)-3-[4-[(2-phenoxyphenyl)methyl]-1-piperazin-1-iumyl]thiolane 1,1-dioxide IUPAC Name: (3S)-3-[4-[(2-phenoxyphenyl)methyl]piperazin-1-ium-1-yl]thiolane 1,1-dioxide Traditional Name: (3S)-3-[4-(2-phenoxybenzyl)piperazin-1-ium-1-yl]sulfolane Formula: C21H27N2O3S+ MolecularWeight: 387.51568

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1[NH+]2CCN(CC2)CC3=CC=CC=C3OC4=CC=CC=C4

Isomeric SMILES

C1CS(=O)(=O)C[C@H]1[NH+]2CCN(CC2)CC3=CC=CC=C3OC4=CC=CC=C4

InChI

InChI=1S/C21H26N2O3S/c24-27(25)15-10-19(17-27)23-13-11-22(12-14-23)16-18-6-4-5-9-21(18)26-20-7-2-1-3-8-20/h1-9,19H,10-17H2/p+1/t19-/m0/s1