1-(2-chloranyl-5-nitro-phenyl)sulfonyl-4-ethyl-piperazin-4-ium

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)sulfonyl-4-ethyl-piperazin-4-ium Openeye Name: 1-(2-chloro-5-nitro-phenyl)sulfonyl-4-ethyl-piperazin-4-ium CAS Name: 1-(2-chloro-5-nitrophenyl)sulfonyl-4-ethylpiperazin-4-ium IUPAC Name: 1-(2-chloro-5-nitrophenyl)sulfonyl-4-ethylpiperazin-4-ium Traditional Name: 1-(2-chloro-5-nitro-phenyl)sulfonyl-4-ethyl-piperazin-4-ium Formula: C12H17ClN3O4S+ MolecularWeight: 334.79908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16ClN3O4S/c1-2-14-5-7-15(8-6-14)21(19,20)12-9-10(16(17)18)3-4-11(12)13/h3-4,9H,2,5-8H2,1H3/p+1