1-(4-cyclopentylsulfanyl-3-nitro-phenyl)sulfonyl-4-methyl-piperazin-4-ium

Systemtic Name: 1-(4-cyclopentylsulfanyl-3-nitro-phenyl)sulfonyl-4-methyl-piperazin-4-ium Openeye Name: 1-(4-cyclopentylsulfanyl-3-nitro-phenyl)sulfonyl-4-methyl-piperazin-4-ium CAS Name: 1-[4-(cyclopentylthio)-3-nitrophenyl]sulfonyl-4-methylpiperazin-4-ium IUPAC Name: 1-(4-cyclopentylsulfanyl-3-nitrophenyl)sulfonyl-4-methylpiperazin-4-ium Traditional Name: 1-[4-(cyclopentylthio)-3-nitro-phenyl]sulfonyl-4-methyl-piperazin-4-ium Formula: C16H24N3O4S2+ MolecularWeight: 386.50946

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3CCCC3)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C16H23N3O4S2/c1-17-8-10-18(11-9-17)25(22,23)14-6-7-16(15(12-14)19(20)21)24-13-4-2-3-5-13/h6-7,12-13H,2-5,8-11H2,1H3/p+1