1-(2-methyl-5-nitro-phenyl)sulfonyl-4-[2-(4-methylphenoxy)ethyl]piperazin-4-ium

Systemtic Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-4-[2-(4-methylphenoxy)ethyl]piperazin-4-ium Openeye Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-4-[2-(4-methylphenoxy)ethyl]piperazin-4-ium CAS Name: 1-(2-methyl-5-nitrophenyl)sulfonyl-4-[2-(4-methylphenoxy)ethyl]piperazin-4-ium IUPAC Name: 1-(2-methyl-5-nitrophenyl)sulfonyl-4-[2-(4-methylphenoxy)ethyl]piperazin-4-ium Traditional Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-4-[2-(4-methylphenoxy)ethyl]piperazin-4-ium Formula: C20H26N3O5S+ MolecularWeight: 420.50254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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