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

Systemtic Name: 1-[2-(3,5-dimethylphenoxy)ethyl]-4-(3-nitrophenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[2-(3,5-dimethylphenoxy)ethyl]-4-(3-nitrophenyl)sulfonyl-piperazin-1-ium CAS Name: 1-[2-(3,5-dimethylphenoxy)ethyl]-4-(3-nitrophenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[2-(3,5-dimethylphenoxy)ethyl]-4-(3-nitrophenyl)sulfonylpiperazin-1-ium Traditional Name: 1-[2-(3,5-dimethylphenoxy)ethyl]-4-(3-nitrophenyl)sulfonyl-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=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

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