2,3-dimethyl-N-[(2R)-3-methyl-2-morpholin-4-ium-4-yl-butyl]-5-nitro-benzenesulfonamide

Systemtic Name: 2,3-dimethyl-N-[(2R)-3-methyl-2-morpholin-4-ium-4-yl-butyl]-5-nitro-benzenesulfonamide Openeye Name: 2,3-dimethyl-N-[(2R)-3-methyl-2-morpholin-4-ium-4-yl-butyl]-5-nitro-benzenesulfonamide CAS Name: 2,3-dimethyl-N-[(2R)-3-methyl-2-(4-morpholin-4-iumyl)butyl]-5-nitrobenzenesulfonamide IUPAC Name: 2,3-dimethyl-N-[(2R)-3-methyl-2-morpholin-4-ium-4-ylbutyl]-5-nitrobenzenesulfonamide Traditional Name: 2,3-dimethyl-N-[(2R)-3-methyl-2-morpholin-4-ium-4-yl-butyl]-5-nitro-benzenesulfonamide Formula: C17H28N3O5S+ MolecularWeight: 386.48632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)NCC(C(C)C)[NH+]2CCOCC2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)[N+](=O)[O-]

InChI

InChI=1S/C17H27N3O5S/c1-12(2)16(19-5-7-25-8-6-19)11-18-26(23,24)17-10-15(20(21)22)9-13(3)14(17)4/h9-10,12,16,18H,5-8,11H2,1-4H3/p+1/t16-/m0/s1