4-(2,6-dimethylphenyl)-N,N-dimethyl-piperazin-4-ium-1-sulfonamide chloride

Systemtic Name: 4-(2,6-dimethylphenyl)-N,N-dimethyl-piperazin-4-ium-1-sulfonamide chloride Openeye Name: 4-(2,6-dimethylphenyl)-N,N-dimethyl-piperazin-4-ium-1-sulfonamide chloride CAS Name: 4-(2,6-dimethylphenyl)-N,N-dimethyl-1-piperazin-4-iumsulfonamide chloride IUPAC Name: 4-(2,6-dimethylphenyl)-N,N-dimethylpiperazin-4-ium-1-sulfonamide chloride Traditional Name: 4-(2,6-dimethylphenyl)-N,N-dimethyl-piperazin-4-ium-1-sulfonamide chloride Formula: C14H24ClN3O2S MolecularWeight: 333.87726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H23N3O2S.ClH/c1-12-6-5-7-13(2)14(12)16-8-10-17(11-9-16)20(18,19)15(3)4;/h5-7H,8-11H2,1-4H3;1H