1-(3-chloranyl-4-methyl-5-nitro-phenyl)sulfonylpiperazin-4-ium

Systemtic Name: 1-(3-chloranyl-4-methyl-5-nitro-phenyl)sulfonylpiperazin-4-ium Openeye Name: 1-(3-chloro-4-methyl-5-nitro-phenyl)sulfonylpiperazin-4-ium CAS Name: 1-(3-chloro-4-methyl-5-nitrophenyl)sulfonylpiperazin-4-ium IUPAC Name: 1-(3-chloro-4-methyl-5-nitrophenyl)sulfonylpiperazin-4-ium Traditional Name: 1-(3-chloro-4-methyl-5-nitro-phenyl)sulfonylpiperazin-4-ium Formula: C11H15ClN3O4S+ MolecularWeight: 320.7725

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)N2CC[NH2+]CC2)Cl

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)N2CC[NH2+]CC2)Cl

InChI

InChI=1S/C11H14ClN3O4S/c1-8-10(12)6-9(7-11(8)15(16)17)20(18,19)14-4-2-13-3-5-14/h6-7,13H,2-5H2,1H3/p+1