2-[4-(3,4-dimethyl-5-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]ethanol

Systemtic Name: 2-[4-(3,4-dimethyl-5-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]ethanol Openeye Name: 2-[4-(3,4-dimethyl-5-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]ethanol CAS Name: 2-[4-(3,4-dimethyl-5-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]ethanol IUPAC Name: 2-[4-(3,4-dimethyl-5-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]ethanol Traditional Name: 2-[4-(3,4-dimethyl-5-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]ethanol Formula: C14H22N3O5S+ MolecularWeight: 344.40658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)[N+](=O)[O-])S(=O)(=O)N2CC[NH+](CC2)CCO

Isomeric SMILES

CC1=CC(=CC(=C1C)[N+](=O)[O-])S(=O)(=O)N2CC[NH+](CC2)CCO

InChI

InChI=1S/C14H21N3O5S/c1-11-9-13(10-14(12(11)2)17(19)20)23(21,22)16-5-3-15(4-6-16)7-8-18/h9-10,18H,3-8H2,1-2H3/p+1