1-(2-chloranylprop-2-enyl)-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-(2-chloranylprop-2-enyl)-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-(2-chloroallyl)-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(2-chloroprop-2-enyl)-4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-(2-chloroprop-2-enyl)-4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(2-chloroallyl)-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazin-1-ium Formula: C14H19ClN3O4S+ MolecularWeight: 360.83636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CC[NH+](CC2)CC(=C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CC[NH+](CC2)CC(=C)Cl

InChI

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