N-[4,5-dimethyl-3-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]thiophen-2-yl]ethanamide

Systemtic Name: N-[4,5-dimethyl-3-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]thiophen-2-yl]ethanamide Openeye Name: N-[3-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-4,5-dimethyl-2-thienyl]acetamide CAS Name: N-[3-[[4-(benzenesulfonyl)-1-piperazin-1-iumyl]methyl]-4,5-dimethyl-2-thiophenyl]acetamide IUPAC Name: N-[3-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-4,5-dimethylthiophen-2-yl]acetamide Traditional Name: N-[3-[(4-besylpiperazin-1-ium-1-yl)methyl]-4,5-dimethyl-2-thienyl]acetamide Formula: C19H26N3O3S2+ MolecularWeight: 408.55804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)NC(=O)C)C

Isomeric SMILES

CC1=C(SC(=C1C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)NC(=O)C)C

InChI

InChI=1S/C19H25N3O3S2/c1-14-15(2)26-19(20-16(3)23)18(14)13-21-9-11-22(12-10-21)27(24,25)17-7-5-4-6-8-17/h4-8H,9-13H2,1-3H3,(H,20,23)/p+1