1-(5-nitropyridin-1-ium-2-yl)-4-(phenylsulfonyl)-1,4-diazepane

Systemtic Name: 1-(5-nitropyridin-1-ium-2-yl)-4-(phenylsulfonyl)-1,4-diazepane Openeye Name: 1-(benzenesulfonyl)-4-(5-nitropyridin-1-ium-2-yl)-1,4-diazepane CAS Name: 1-(benzenesulfonyl)-4-(5-nitro-2-pyridin-1-iumyl)-1,4-diazepane IUPAC Name: 1-(benzenesulfonyl)-4-(5-nitropyridin-1-ium-2-yl)-1,4-diazepane Traditional Name: 1-besyl-4-(5-nitropyridin-1-ium-2-yl)-1,4-diazepane Formula: C16H19N4O4S+ MolecularWeight: 363.41146

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=CC=C2)C3=[NH+]C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=CC=C2)C3=[NH+]C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O4S/c21-20(22)14-7-8-16(17-13-14)18-9-4-10-19(12-11-18)25(23,24)15-5-2-1-3-6-15/h1-3,5-8,13H,4,9-12H2/p+1