1-(3-chloranyl-4-methyl-5-nitro-phenyl)sulfonyl-4-propyl-piperazin-4-ium

Systemtic Name: 1-(3-chloranyl-4-methyl-5-nitro-phenyl)sulfonyl-4-propyl-piperazin-4-ium Openeye Name: 1-(3-chloro-4-methyl-5-nitro-phenyl)sulfonyl-4-propyl-piperazin-4-ium CAS Name: 1-(3-chloro-4-methyl-5-nitrophenyl)sulfonyl-4-propylpiperazin-4-ium IUPAC Name: 1-(3-chloro-4-methyl-5-nitrophenyl)sulfonyl-4-propylpiperazin-4-ium Traditional Name: 1-(3-chloro-4-methyl-5-nitro-phenyl)sulfonyl-4-propyl-piperazin-4-ium Formula: C14H21ClN3O4S+ MolecularWeight: 362.85224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20ClN3O4S/c1-3-4-16-5-7-17(8-6-16)23(21,22)12-9-13(15)11(2)14(10-12)18(19)20/h9-10H,3-8H2,1-2H3/p+1