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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1OCC[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

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