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

Systemtic Name: 1-(4-nitrophenyl)sulfonyl-4-propyl-piperazin-4-ium Openeye Name: 1-(4-nitrophenyl)sulfonyl-4-propyl-piperazin-4-ium CAS Name: 1-(4-nitrophenyl)sulfonyl-4-propylpiperazin-4-ium IUPAC Name: 1-(4-nitrophenyl)sulfonyl-4-propylpiperazin-4-ium Traditional Name: 1-nosyl-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=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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