1-[2-(3-methylphenoxy)ethyl]-4-(3-nitrophenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[2-(3-methylphenoxy)ethyl]-4-(3-nitrophenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[2-(3-methylphenoxy)ethyl]-4-(3-nitrophenyl)sulfonyl-piperazin-1-ium CAS Name: 1-[2-(3-methylphenoxy)ethyl]-4-(3-nitrophenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[2-(3-methylphenoxy)ethyl]-4-(3-nitrophenyl)sulfonylpiperazin-1-ium Traditional Name: 1-[2-(3-methylphenoxy)ethyl]-4-(3-nitrophenyl)sulfonyl-piperazin-1-ium Formula: C19H24N3O5S+ MolecularWeight: 406.47596

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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-]

Isomeric SMILES

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

InChI

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