2-methyl-5-nitro-N-piperidin-1-ium-4-yl-benzenesulfonamide

Systemtic Name: 2-methyl-5-nitro-N-piperidin-1-ium-4-yl-benzenesulfonamide Openeye Name: 2-methyl-5-nitro-N-piperidin-1-ium-4-yl-benzenesulfonamide CAS Name: 2-methyl-5-nitro-N-(4-piperidin-1-iumyl)benzenesulfonamide IUPAC Name: 2-methyl-5-nitro-N-piperidin-1-ium-4-ylbenzenesulfonamide Traditional Name: 2-methyl-5-nitro-N-piperidin-1-ium-4-yl-benzenesulfonamide Formula: C12H18N3O4S+ MolecularWeight: 300.35402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2CC[NH2+]CC2

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2CC[NH2+]CC2

InChI

InChI=1S/C12H17N3O4S/c1-9-2-3-11(15(16)17)8-12(9)20(18,19)14-10-4-6-13-7-5-10/h2-3,8,10,13-14H,4-7H2,1H3/p+1