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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OC2=C(C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)OC2=C(C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C)[N+](=O)[O-])C

InChI

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