1-(2-chloranylprop-2-enyl)-4-(3-nitrophenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-(2-chloranylprop-2-enyl)-4-(3-nitrophenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-(2-chloroallyl)-4-(3-nitrophenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(2-chloroprop-2-enyl)-4-(3-nitrophenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-(2-chloroprop-2-enyl)-4-(3-nitrophenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(2-chloroallyl)-4-(3-nitrophenyl)sulfonyl-piperazin-1-ium Formula: C13H17ClN3O4S+ MolecularWeight: 346.80978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=C(C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C=C(C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H16ClN3O4S/c1-11(14)10-15-5-7-16(8-6-15)22(20,21)13-4-2-3-12(9-13)17(18)19/h2-4,9H,1,5-8,10H2/p+1