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

Systemtic Name: 2-(3-methylphenyl)-4-[(4-methylsulfonylpiperazin-1-ium-1-yl)methyl]-1,3-thiazole Openeye Name: 4-[(4-methylsulfonylpiperazin-1-ium-1-yl)methyl]-2-(m-tolyl)thiazole CAS Name: 2-(3-methylphenyl)-4-[(4-methylsulfonyl-1-piperazin-1-iumyl)methyl]thiazole IUPAC Name: 2-(3-methylphenyl)-4-[(4-methylsulfonylpiperazin-1-ium-1-yl)methyl]-1,3-thiazole Traditional Name: 4-[(4-mesylpiperazin-1-ium-1-yl)methyl]-2-(m-tolyl)thiazole Formula: C16H22N3O2S2+ MolecularWeight: 352.49478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC(=CS2)C[NH+]3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC(=CS2)C[NH+]3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C16H21N3O2S2/c1-13-4-3-5-14(10-13)16-17-15(12-22-16)11-18-6-8-19(9-7-18)23(2,20)21/h3-5,10,12H,6-9,11H2,1-2H3/p+1