4-[(4,5-dimethyl-2-oxidanyl-phenyl)methyl]-N,N-diethyl-piperazin-4-ium-1-sulfonamide

Systemtic Name: 4-[(4,5-dimethyl-2-oxidanyl-phenyl)methyl]-N,N-diethyl-piperazin-4-ium-1-sulfonamide Openeye Name: N,N-diethyl-4-[(2-hydroxy-4,5-dimethyl-phenyl)methyl]piperazin-4-ium-1-sulfonamide CAS Name: N,N-diethyl-4-[(2-hydroxy-4,5-dimethylphenyl)methyl]-1-piperazin-4-iumsulfonamide IUPAC Name: N,N-diethyl-4-[(2-hydroxy-4,5-dimethylphenyl)methyl]piperazin-4-ium-1-sulfonamide Traditional Name: N,N-diethyl-4-(2-hydroxy-4,5-dimethyl-benzyl)piperazin-4-ium-1-sulfonamide Formula: C17H30N3O3S+ MolecularWeight: 356.5034

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)N1CC[NH+](CC1)CC2=C(C=C(C(=C2)C)C)O

Isomeric SMILES

CCN(CC)S(=O)(=O)N1CC[NH+](CC1)CC2=C(C=C(C(=C2)C)C)O

InChI

InChI=1S/C17H29N3O3S/c1-5-19(6-2)24(22,23)20-9-7-18(8-10-20)13-16-11-14(3)15(4)12-17(16)21/h11-12,21H,5-10,13H2,1-4H3/p+1