[4-[2-(2,5-dimethylphenyl)sulfonylethyl]piperazin-4-ium-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [4-[2-(2,5-dimethylphenyl)sulfonylethyl]piperazin-4-ium-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[2-(2,5-dimethylphenyl)sulfonylethyl]piperazin-4-ium-1-yl]-(2-thienyl)methanone CAS Name: [4-[2-(2,5-dimethylphenyl)sulfonylethyl]-1-piperazin-4-iumyl]-thiophen-2-ylmethanone IUPAC Name: [4-[2-(2,5-dimethylphenyl)sulfonylethyl]piperazin-4-ium-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-[2-(2,5-dimethylphenyl)sulfonylethyl]piperazin-4-ium-1-yl]-(2-thienyl)methanone Formula: C19H25N2O3S2+ MolecularWeight: 393.5434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)CC[NH+]2CCN(CC2)C(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)CC[NH+]2CCN(CC2)C(=O)C3=CC=CS3

InChI

InChI=1S/C19H24N2O3S2/c1-15-5-6-16(2)18(14-15)26(23,24)13-11-20-7-9-21(10-8-20)19(22)17-4-3-12-25-17/h3-6,12,14H,7-11,13H2,1-2H3/p+1