N-(3-chloranyl-4-methyl-phenyl)-3-(1,4-dimethylpiperazin-1-ium-1-yl)-N-oxidanyl-propane-1-sulfonamide chloride

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-3-(1,4-dimethylpiperazin-1-ium-1-yl)-N-oxidanyl-propane-1-sulfonamide chloride Openeye Name: N-(3-chloro-4-methyl-phenyl)-3-(1,4-dimethylpiperazin-1-ium-1-yl)-N-hydroxy-propane-1-sulfonamide chloride CAS Name: N-(3-chloro-4-methylphenyl)-3-(1,4-dimethyl-1-piperazin-1-iumyl)-N-hydroxy-1-propanesulfonamide chloride IUPAC Name: N-(3-chloro-4-methylphenyl)-3-(1,4-dimethylpiperazin-1-ium-1-yl)-N-hydroxypropane-1-sulfonamide chloride Traditional Name: N-(3-chloro-4-methyl-phenyl)-3-(1,4-dimethylpiperazin-1-ium-1-yl)-N-hydroxy-propane-1-sulfonamide chloride Formula: C16H27Cl2N3O3S MolecularWeight: 412.37488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N(O)S(=O)(=O)CCC[N+]2(CCN(CC2)C)C)Cl.[Cl-]

Isomeric SMILES

CC1=C(C=C(C=C1)N(O)S(=O)(=O)CCC[N+]2(CCN(CC2)C)C)Cl.[Cl-]

InChI

InChI=1S/C16H27ClN3O3S.ClH/c1-14-5-6-15(13-16(14)17)19(21)24(22,23)12-4-9-20(3)10-7-18(2)8-11-20;/h5-6,13,21H,4,7-12H2,1-3H3;1H/q+1;/p-1