N-[3,5-bis(chloranyl)-4-methyl-phenyl]-3-(1,4-dimethylpiperazin-1-ium-1-yl)-N-oxidanyl-propane-1-sulfonamide

Systemtic Name: N-[3,5-bis(chloranyl)-4-methyl-phenyl]-3-(1,4-dimethylpiperazin-1-ium-1-yl)-N-oxidanyl-propane-1-sulfonamide Openeye Name: N-(3,5-dichloro-4-methyl-phenyl)-3-(1,4-dimethylpiperazin-1-ium-1-yl)-N-hydroxy-propane-1-sulfonamide CAS Name: N-(3,5-dichloro-4-methylphenyl)-3-(1,4-dimethyl-1-piperazin-1-iumyl)-N-hydroxy-1-propanesulfonamide IUPAC Name: N-(3,5-dichloro-4-methylphenyl)-3-(1,4-dimethylpiperazin-1-ium-1-yl)-N-hydroxypropane-1-sulfonamide Traditional Name: N-(3,5-dichloro-4-methyl-phenyl)-3-(1,4-dimethylpiperazin-1-ium-1-yl)-N-hydroxy-propane-1-sulfonamide Formula: C16H26Cl2N3O3S+ MolecularWeight: 411.36694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1Cl)N(O)S(=O)(=O)CCC[N+]2(CCN(CC2)C)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1Cl)N(O)S(=O)(=O)CCC[N+]2(CCN(CC2)C)C)Cl

InChI

InChI=1S/C16H26Cl2N3O3S/c1-13-15(17)11-14(12-16(13)18)20(22)25(23,24)10-4-7-21(3)8-5-19(2)6-9-21/h11-12,22H,4-10H2,1-3H3/q+1