N-(4-methylsulfonyl-2-nitro-phenyl)-6-morpholin-4-yl-pyridin-1-ium-3-amine

Systemtic Name: N-(4-methylsulfonyl-2-nitro-phenyl)-6-morpholin-4-yl-pyridin-1-ium-3-amine Openeye Name: N-(4-methylsulfonyl-2-nitro-phenyl)-6-morpholino-pyridin-1-ium-3-amine CAS Name: N-(4-methylsulfonyl-2-nitrophenyl)-6-(4-morpholinyl)-3-pyridin-1-iumamine IUPAC Name: N-(4-methylsulfonyl-2-nitrophenyl)-6-morpholin-4-ylpyridin-1-ium-3-amine Traditional Name: (4-mesyl-2-nitro-phenyl)-(6-morpholinopyridin-1-ium-3-yl)amine Formula: C16H19N4O5S+ MolecularWeight: 379.41086

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NC2=C[NH+]=C(C=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NC2=C[NH+]=C(C=C2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O5S/c1-26(23,24)13-3-4-14(15(10-13)20(21)22)18-12-2-5-16(17-11-12)19-6-8-25-9-7-19/h2-5,10-11,18H,6-9H2,1H3/p+1