1-[4-(2,3-dihydro-1H-inden-5-yloxy)-3-nitro-phenyl]sulfonyl-4-methyl-piperazin-4-ium

Systemtic Name: 1-[4-(2,3-dihydro-1H-inden-5-yloxy)-3-nitro-phenyl]sulfonyl-4-methyl-piperazin-4-ium Openeye Name: 1-(4-indan-5-yloxy-3-nitro-phenyl)sulfonyl-4-methyl-piperazin-4-ium CAS Name: 1-[4-(2,3-dihydro-1H-inden-5-yloxy)-3-nitrophenyl]sulfonyl-4-methylpiperazin-4-ium IUPAC Name: 1-[4-(2,3-dihydro-1H-inden-5-yloxy)-3-nitrophenyl]sulfonyl-4-methylpiperazin-4-ium Traditional Name: 1-(4-indan-5-yloxy-3-nitro-phenyl)sulfonyl-4-methyl-piperazin-4-ium Formula: C20H24N3O5S+ MolecularWeight: 418.48666

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC4=C(CCC4)C=C3)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC4=C(CCC4)C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O5S/c1-21-9-11-22(12-10-21)29(26,27)18-7-8-20(19(14-18)23(24)25)28-17-6-5-15-3-2-4-16(15)13-17/h5-8,13-14H,2-4,9-12H2,1H3/p+1