1-(4-nitrophenyl)-N-piperidin-1-ium-4-yl-methanesulfonamide

Systemtic Name: 1-(4-nitrophenyl)-N-piperidin-1-ium-4-yl-methanesulfonamide Openeye Name: 1-(4-nitrophenyl)-N-piperidin-1-ium-4-yl-methanesulfonamide CAS Name: 1-(4-nitrophenyl)-N-(4-piperidin-1-iumyl)methanesulfonamide IUPAC Name: 1-(4-nitrophenyl)-N-piperidin-1-ium-4-ylmethanesulfonamide Traditional Name: 1-(4-nitrophenyl)-N-piperidin-1-ium-4-yl-methanesulfonamide Formula: C12H18N3O4S+ MolecularWeight: 300.35402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCC1NS(=O)(=O)CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1C[NH2+]CCC1NS(=O)(=O)CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H17N3O4S/c16-15(17)12-3-1-10(2-4-12)9-20(18,19)14-11-5-7-13-8-6-11/h1-4,11,13-14H,5-9H2/p+1