N,N-dimethyl-4-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N,N-dimethyl-4-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide Openeye Name: N,N-dimethyl-4-[4-[(5-methylisoxazol-3-yl)methyl]piperazin-4-ium-1-carbonyl]benzenesulfonamide CAS Name: N,N-dimethyl-4-[[4-[(5-methyl-3-isoxazolyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]benzenesulfonamide IUPAC Name: N,N-dimethyl-4-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-4-ium-1-carbonyl]benzenesulfonamide Traditional Name: N,N-dimethyl-4-[4-[(5-methylisoxazol-3-yl)methyl]piperazin-4-ium-1-carbonyl]benzenesulfonamide Formula: C18H25N4O4S+ MolecularWeight: 393.4805

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)C

Isomeric SMILES

CC1=CC(=NO1)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)C

InChI

InChI=1S/C18H24N4O4S/c1-14-12-16(19-26-14)13-21-8-10-22(11-9-21)18(23)15-4-6-17(7-5-15)27(24,25)20(2)3/h4-7,12H,8-11,13H2,1-3H3/p+1