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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CC[NH+](CC2)CCOC3=CC=CC=C3C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CC[NH+](CC2)CCOC3=CC=CC=C3C

InChI

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