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

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

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