[1-(2-methyl-3-nitro-phenyl)sulfonylpiperidin-4-yl]azanium

Systemtic Name: [1-(2-methyl-3-nitro-phenyl)sulfonylpiperidin-4-yl]azanium Openeye Name: [1-(2-methyl-3-nitro-phenyl)sulfonyl-4-piperidyl]ammonium CAS Name: [1-(2-methyl-3-nitrophenyl)sulfonyl-4-piperidinyl]ammonium IUPAC Name: [1-(2-methyl-3-nitrophenyl)sulfonylpiperidin-4-yl]azanium Traditional Name: [1-(2-methyl-3-nitro-phenyl)sulfonyl-4-piperidyl]ammonium Formula: C12H18N3O4S+ MolecularWeight: 300.35402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1S(=O)(=O)N2CCC(CC2)[NH3+])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1S(=O)(=O)N2CCC(CC2)[NH3+])[N+](=O)[O-]

InChI

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