1-(4-nitrophenyl)sulfonyl-4-(pyridin-1-ium-2-ylmethyl)piperazin-4-ium

Systemtic Name: 1-(4-nitrophenyl)sulfonyl-4-(pyridin-1-ium-2-ylmethyl)piperazin-4-ium Openeye Name: 1-(4-nitrophenyl)sulfonyl-4-(pyridin-1-ium-2-ylmethyl)piperazin-4-ium CAS Name: 1-(4-nitrophenyl)sulfonyl-4-(2-pyridin-1-iumylmethyl)piperazin-4-ium IUPAC Name: 1-(4-nitrophenyl)sulfonyl-4-(pyridin-1-ium-2-ylmethyl)piperazin-4-ium Traditional Name: 1-nosyl-4-(pyridin-1-ium-2-ylmethyl)piperazin-4-ium Formula: C16H20N4O4S+2 MolecularWeight: 364.4194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=[NH+]2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=[NH+]2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O4S/c21-20(22)15-4-6-16(7-5-15)25(23,24)19-11-9-18(10-12-19)13-14-3-1-2-8-17-14/h1-8H,9-13H2/p+2