1-(3-nitrophenyl)sulfonyl-1,4-diazepan-4-ium

Systemtic Name: 1-(3-nitrophenyl)sulfonyl-1,4-diazepan-4-ium Openeye Name: 1-(3-nitrophenyl)sulfonyl-1,4-diazepan-4-ium CAS Name: 1-(3-nitrophenyl)sulfonyl-1,4-diazepan-4-ium IUPAC Name: 1-(3-nitrophenyl)sulfonyl-1,4-diazepan-4-ium Traditional Name: 1-(3-nitrophenyl)sulfonyl-1,4-diazepan-4-ium Formula: C11H16N3O4S+ MolecularWeight: 286.32744

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

C1C[NH2+]CCN(C1)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C11H15N3O4S/c15-14(16)10-3-1-4-11(9-10)19(17,18)13-7-2-5-12-6-8-13/h1,3-4,9,12H,2,5-8H2/p+1