4-methylsulfonyl-N-(2-morpholin-4-ium-4-ylethyl)-2-nitro-aniline

Systemtic Name: 4-methylsulfonyl-N-(2-morpholin-4-ium-4-ylethyl)-2-nitro-aniline Openeye Name: 4-methylsulfonyl-N-(2-morpholin-4-ium-4-ylethyl)-2-nitro-aniline CAS Name: 4-methylsulfonyl-N-[2-(4-morpholin-4-iumyl)ethyl]-2-nitroaniline IUPAC Name: 4-methylsulfonyl-N-(2-morpholin-4-ium-4-ylethyl)-2-nitroaniline Traditional Name: (4-mesyl-2-nitro-phenyl)-(2-morpholin-4-ium-4-ylethyl)amine Formula: C13H20N3O5S+ MolecularWeight: 330.38

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCC[NH+]2CCOCC2)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCC[NH+]2CCOCC2)[N+](=O)[O-]

InChI

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