1-[4-(2-methoxyphenoxy)-3-nitro-phenyl]sulfonyl-4-methyl-piperazin-4-ium

Systemtic Name: 1-[4-(2-methoxyphenoxy)-3-nitro-phenyl]sulfonyl-4-methyl-piperazin-4-ium Openeye Name: 1-[4-(2-methoxyphenoxy)-3-nitro-phenyl]sulfonyl-4-methyl-piperazin-4-ium CAS Name: 1-[4-(2-methoxyphenoxy)-3-nitrophenyl]sulfonyl-4-methylpiperazin-4-ium IUPAC Name: 1-[4-(2-methoxyphenoxy)-3-nitrophenyl]sulfonyl-4-methylpiperazin-4-ium Traditional Name: 1-[4-(2-methoxyphenoxy)-3-nitro-phenyl]sulfonyl-4-methyl-piperazin-4-ium Formula: C18H22N3O6S+ MolecularWeight: 408.44878

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC=CC=C3OC)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC=CC=C3OC)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O6S/c1-19-9-11-20(12-10-19)28(24,25)14-7-8-16(15(13-14)21(22)23)27-18-6-4-3-5-17(18)26-2/h3-8,13H,9-12H2,1-2H3/p+1