1-[2-(4-methylphenoxy)ethyl]-4-(2-nitrophenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[2-(4-methylphenoxy)ethyl]-4-(2-nitrophenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[2-(4-methylphenoxy)ethyl]-4-(2-nitrophenyl)sulfonyl-piperazin-1-ium CAS Name: 1-[2-(4-methylphenoxy)ethyl]-4-(2-nitrophenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[2-(4-methylphenoxy)ethyl]-4-(2-nitrophenyl)sulfonylpiperazin-1-ium Traditional Name: 1-[2-(4-methylphenoxy)ethyl]-4-(2-nitrophenyl)sulfonyl-piperazin-1-ium Formula: C19H24N3O5S+ MolecularWeight: 406.47596

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=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O5S/c1-16-6-8-17(9-7-16)27-15-14-20-10-12-21(13-11-20)28(25,26)19-5-3-2-4-18(19)22(23)24/h2-9H,10-15H2,1H3/p+1