2-(1,3-benzodioxol-5-yl)-4-[(4-methylsulfonylpiperazin-1-ium-1-yl)methyl]-1,3-thiazole

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-4-[(4-methylsulfonylpiperazin-1-ium-1-yl)methyl]-1,3-thiazole Openeye Name: 2-(1,3-benzodioxol-5-yl)-4-[(4-methylsulfonylpiperazin-1-ium-1-yl)methyl]thiazole CAS Name: 2-(1,3-benzodioxol-5-yl)-4-[(4-methylsulfonyl-1-piperazin-1-iumyl)methyl]thiazole IUPAC Name: 2-(1,3-benzodioxol-5-yl)-4-[(4-methylsulfonylpiperazin-1-ium-1-yl)methyl]-1,3-thiazole Traditional Name: 2-(1,3-benzodioxol-5-yl)-4-[(4-mesylpiperazin-1-ium-1-yl)methyl]thiazole Formula: C16H20N3O4S2+ MolecularWeight: 382.4777

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC[NH+](CC1)CC2=CSC(=N2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CS(=O)(=O)N1CC[NH+](CC1)CC2=CSC(=N2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C16H19N3O4S2/c1-25(20,21)19-6-4-18(5-7-19)9-13-10-24-16(17-13)12-2-3-14-15(8-12)23-11-22-14/h2-3,8,10H,4-7,9,11H2,1H3/p+1