1-[2-(3,5-dimethylphenoxy)ethyl]-4-(4-nitrophenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[2-(3,5-dimethylphenoxy)ethyl]-4-(4-nitrophenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[2-(3,5-dimethylphenoxy)ethyl]-4-(4-nitrophenyl)sulfonyl-piperazin-1-ium CAS Name: 1-[2-(3,5-dimethylphenoxy)ethyl]-4-(4-nitrophenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[2-(3,5-dimethylphenoxy)ethyl]-4-(4-nitrophenyl)sulfonylpiperazin-1-ium Traditional Name: 1-[2-(3,5-dimethylphenoxy)ethyl]-4-nosyl-piperazin-1-ium Formula: C20H26N3O5S+ MolecularWeight: 420.50254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)OCC[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C20H25N3O5S/c1-16-13-17(2)15-19(14-16)28-12-11-21-7-9-22(10-8-21)29(26,27)20-5-3-18(4-6-20)23(24)25/h3-6,13-15H,7-12H2,1-2H3/p+1