N-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)-4-methyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)-4-methyl-piperazin-4-ium-1-carbothioamide Openeye Name: N-(2-chloro-5-morpholinosulfonyl-phenyl)-4-methyl-piperazin-4-ium-1-carbothioamide CAS Name: N-[2-chloro-5-(4-morpholinylsulfonyl)phenyl]-4-methyl-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-4-methylpiperazin-4-ium-1-carbothioamide Traditional Name: N-(2-chloro-5-morpholinosulfonyl-phenyl)-4-methyl-piperazin-4-ium-1-carbothioamide Formula: C16H24ClN4O3S2+ MolecularWeight: 419.96976

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=S)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C(=S)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl

InChI

InChI=1S/C16H23ClN4O3S2/c1-19-4-6-20(7-5-19)16(25)18-15-12-13(2-3-14(15)17)26(22,23)21-8-10-24-11-9-21/h2-3,12H,4-11H2,1H3,(H,18,25)/p+1