1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-nitro-phenyl]sulfonyl-4-methyl-piperazin-4-ium

Systemtic Name: 1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-nitro-phenyl]sulfonyl-4-methyl-piperazin-4-ium Openeye Name: 1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-nitro-phenyl]sulfonyl-4-methyl-piperazin-4-ium CAS Name: 1-[4-(4-ethyl-1-piperazin-4-iumyl)-3-nitrophenyl]sulfonyl-4-methylpiperazin-4-ium IUPAC Name: 1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-nitrophenyl]sulfonyl-4-methylpiperazin-4-ium Traditional Name: 1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-nitro-phenyl]sulfonyl-4-methyl-piperazin-4-ium Formula: C17H29N5O4S+2 MolecularWeight: 399.50826

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C)[N+](=O)[O-]

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C17H27N5O4S/c1-3-19-8-10-20(11-9-19)16-5-4-15(14-17(16)22(23)24)27(25,26)21-12-6-18(2)7-13-21/h4-5,14H,3,6-13H2,1-2H3/p+2