2-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-5-nitro-benzenesulfonamide

Systemtic Name: 2-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-5-nitro-benzenesulfonamide Openeye Name: 2-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-5-nitro-benzenesulfonamide CAS Name: 2-methyl-N-[3-(4-morpholin-4-iumyl)propyl]-5-nitrobenzenesulfonamide IUPAC Name: 2-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-5-nitrobenzenesulfonamide Traditional Name: 2-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-5-nitro-benzenesulfonamide Formula: C14H22N3O5S+ MolecularWeight: 344.40658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3O5S/c1-12-3-4-13(17(18)19)11-14(12)23(20,21)15-5-2-6-16-7-9-22-10-8-16/h3-4,11,15H,2,5-10H2,1H3/p+1