1-(2-nitrophenyl)sulfonyl-4-propyl-piperazin-4-ium

Systemtic Name: 1-(2-nitrophenyl)sulfonyl-4-propyl-piperazin-4-ium Openeye Name: 1-(2-nitrophenyl)sulfonyl-4-propyl-piperazin-4-ium CAS Name: 1-(2-nitrophenyl)sulfonyl-4-propylpiperazin-4-ium IUPAC Name: 1-(2-nitrophenyl)sulfonyl-4-propylpiperazin-4-ium Traditional Name: 1-(2-nitrophenyl)sulfonyl-4-propyl-piperazin-4-ium Formula: C13H20N3O4S+ MolecularWeight: 314.3806

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCC[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C13H19N3O4S/c1-2-7-14-8-10-15(11-9-14)21(19,20)13-6-4-3-5-12(13)16(17)18/h3-6H,2,7-11H2,1H3/p+1