4-[4-ethyl-5-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]sulfanyl-1,2,4-triazol-3-yl]morpholine

Systemtic Name: 4-[4-ethyl-5-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]sulfanyl-1,2,4-triazol-3-yl]morpholine Openeye Name: 4-[4-ethyl-5-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]sulfanyl-1,2,4-triazol-3-yl]morpholine CAS Name: 4-[4-ethyl-5-[[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-nitrophenyl]thio]-1,2,4-triazol-3-yl]morpholine IUPAC Name: 4-[4-ethyl-5-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitrophenyl]sulfanyl-1,2,4-triazol-3-yl]morpholine Traditional Name: 4-[4-ethyl-5-[[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]thio]-1,2,4-triazol-3-yl]morpholine Formula: C19H28N7O5S2+ MolecularWeight: 498.59952

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC2=C(C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C)[N+](=O)[O-])N4CCOCC4

Isomeric SMILES

CCN1C(=NN=C1SC2=C(C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C)[N+](=O)[O-])N4CCOCC4

InChI

InChI=1S/C19H27N7O5S2/c1-3-25-18(23-10-12-31-13-11-23)20-21-19(25)32-17-5-4-15(14-16(17)26(27)28)33(29,30)24-8-6-22(2)7-9-24/h4-5,14H,3,6-13H2,1-2H3/p+1