(3-cyanophenyl)sulfonyl-[(2-morpholin-4-ylpyridin-1-ium-4-yl)methyl]azanide

Systemtic Name: (3-cyanophenyl)sulfonyl-[(2-morpholin-4-ylpyridin-1-ium-4-yl)methyl]azanide Openeye Name: (3-cyanophenyl)sulfonyl-[(2-morpholinopyridin-1-ium-4-yl)methyl]azanide CAS Name: (3-cyanophenyl)sulfonyl-[[2-(4-morpholinyl)-4-pyridin-1-iumyl]methyl]azanide IUPAC Name: (3-cyanophenyl)sulfonyl-[(2-morpholin-4-ylpyridin-1-ium-4-yl)methyl]azanide Traditional Name: (3-cyanophenyl)sulfonyl-[(2-morpholinopyridin-1-ium-4-yl)methyl]azanide Formula: C17H18N4O3S MolecularWeight: 358.41482

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=[NH+]C=CC(=C2)C[N-]S(=O)(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

C1COCCN1C2=[NH+]C=CC(=C2)C[N-]S(=O)(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C17H17N4O3S/c18-12-14-2-1-3-16(10-14)25(22,23)20-13-15-4-5-19-17(11-15)21-6-8-24-9-7-21/h1-5,10-11H,6-9,13H2/q-1/p+1