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

Systemtic Name: 1-[4-(2-ethylphenoxy)-3-nitro-phenyl]sulfonyl-4-methyl-piperazin-4-ium Openeye Name: 1-[4-(2-ethylphenoxy)-3-nitro-phenyl]sulfonyl-4-methyl-piperazin-4-ium CAS Name: 1-[4-(2-ethylphenoxy)-3-nitrophenyl]sulfonyl-4-methylpiperazin-4-ium IUPAC Name: 1-[4-(2-ethylphenoxy)-3-nitrophenyl]sulfonyl-4-methylpiperazin-4-ium Traditional Name: 1-[4-(2-ethylphenoxy)-3-nitro-phenyl]sulfonyl-4-methyl-piperazin-4-ium Formula: C19H24N3O5S+ MolecularWeight: 406.47596

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1OC2=C(C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=CC=C1OC2=C(C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C19H23N3O5S/c1-3-15-6-4-5-7-18(15)27-19-9-8-16(14-17(19)22(23)24)28(25,26)21-12-10-20(2)11-13-21/h4-9,14H,3,10-13H2,1-2H3/p+1