1-ethyl-4-(3-nitrophenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-ethyl-4-(3-nitrophenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-ethyl-4-(3-nitrophenyl)sulfonyl-piperazin-1-ium CAS Name: 1-ethyl-4-(3-nitrophenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-ethyl-4-(3-nitrophenyl)sulfonylpiperazin-1-ium Traditional Name: 1-ethyl-4-(3-nitrophenyl)sulfonyl-piperazin-1-ium Formula: C12H18N3O4S+ MolecularWeight: 300.35402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O4S/c1-2-13-6-8-14(9-7-13)20(18,19)12-5-3-4-11(10-12)15(16)17/h3-5,10H,2,6-9H2,1H3/p+1