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

Systemtic Name: 1-[4-(4-ethoxyphenoxy)-3-nitro-phenyl]sulfonyl-4-methyl-piperazin-4-ium Openeye Name: 1-[4-(4-ethoxyphenoxy)-3-nitro-phenyl]sulfonyl-4-methyl-piperazin-4-ium CAS Name: 1-[4-(4-ethoxyphenoxy)-3-nitrophenyl]sulfonyl-4-methylpiperazin-4-ium IUPAC Name: 1-[4-(4-ethoxyphenoxy)-3-nitrophenyl]sulfonyl-4-methylpiperazin-4-ium Traditional Name: 1-[4-(4-ethoxyphenoxy)-3-nitro-phenyl]sulfonyl-4-methyl-piperazin-4-ium Formula: C19H24N3O6S+ MolecularWeight: 422.47536

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OC2=C(C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)OC2=C(C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C19H23N3O6S/c1-3-27-15-4-6-16(7-5-15)28-19-9-8-17(14-18(19)22(23)24)29(25,26)21-12-10-20(2)11-13-21/h4-9,14H,3,10-13H2,1-2H3/p+1