1-(2-chloranylprop-2-enyl)-4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-ium

Systemtic Name: 1-(2-chloranylprop-2-enyl)-4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-ium Openeye Name: 1-(2-chloroallyl)-4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-ium CAS Name: 1-(2-chloroprop-2-enyl)-4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-ium IUPAC Name: 1-(2-chloroprop-2-enyl)-4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-ium Traditional Name: 1-(2-chloroallyl)-4-(4-mesyl-2-nitro-phenyl)piperazin-1-ium Formula: C14H19ClN3O4S+ MolecularWeight: 360.83636

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC(=C)Cl)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC(=C)Cl)[N+](=O)[O-]

InChI

InChI=1S/C14H18ClN3O4S/c1-11(15)10-16-5-7-17(8-6-16)13-4-3-12(23(2,21)22)9-14(13)18(19)20/h3-4,9H,1,5-8,10H2,2H3/p+1