1-(2-nitrophenyl)sulfonyl-4-propan-2-yl-piperazin-4-ium

Systemtic Name: 1-(2-nitrophenyl)sulfonyl-4-propan-2-yl-piperazin-4-ium Openeye Name: 1-isopropyl-4-(2-nitrophenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(2-nitrophenyl)sulfonyl-4-propan-2-ylpiperazin-4-ium IUPAC Name: 1-(2-nitrophenyl)sulfonyl-4-propan-2-ylpiperazin-4-ium Traditional Name: 1-isopropyl-4-(2-nitrophenyl)sulfonyl-piperazin-1-ium Formula: C13H20N3O4S+ MolecularWeight: 314.3806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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