N-[4-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-thiazol-2-yl]ethanamide

Systemtic Name: N-[4-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-thiazol-2-yl]ethanamide Openeye Name: N-[4-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]thiazol-2-yl]acetamide CAS Name: N-[4-[[4-(3,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-2-thiazolyl]acetamide IUPAC Name: N-[4-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-thiazol-2-yl]acetamide Traditional Name: N-[4-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]thiazol-2-yl]acetamide Formula: C18H25N4O3S2+ MolecularWeight: 409.5461

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CSC(=N3)NC(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CSC(=N3)NC(=O)C)C

InChI

InChI=1S/C18H24N4O3S2/c1-13-4-5-17(10-14(13)2)27(24,25)22-8-6-21(7-9-22)11-16-12-26-18(20-16)19-15(3)23/h4-5,10,12H,6-9,11H2,1-3H3,(H,19,20,23)/p+1