4-methyl-N-(2-morpholin-4-ium-4-ylethyl)-3-nitro-benzenesulfonamide

Systemtic Name: 4-methyl-N-(2-morpholin-4-ium-4-ylethyl)-3-nitro-benzenesulfonamide Openeye Name: 4-methyl-N-(2-morpholin-4-ium-4-ylethyl)-3-nitro-benzenesulfonamide CAS Name: 4-methyl-N-[2-(4-morpholin-4-iumyl)ethyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-methyl-N-(2-morpholin-4-ium-4-ylethyl)-3-nitrobenzenesulfonamide Traditional Name: 4-methyl-N-(2-morpholin-4-ium-4-ylethyl)-3-nitro-benzenesulfonamide Formula: C13H20N3O5S+ MolecularWeight: 330.38

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCC[NH+]2CCOCC2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCC[NH+]2CCOCC2)[N+](=O)[O-]

InChI

InChI=1S/C13H19N3O5S/c1-11-2-3-12(10-13(11)16(17)18)22(19,20)14-4-5-15-6-8-21-9-7-15/h2-3,10,14H,4-9H2,1H3/p+1