3-[(5-morpholin-4-ylsulfonylpyridin-1-ium-2-yl)amino]propanenitrile

Systemtic Name: 3-[(5-morpholin-4-ylsulfonylpyridin-1-ium-2-yl)amino]propanenitrile Openeye Name: 3-[(5-morpholinosulfonylpyridin-1-ium-2-yl)amino]propanenitrile CAS Name: 3-[[5-(4-morpholinylsulfonyl)-2-pyridin-1-iumyl]amino]propanenitrile IUPAC Name: 3-[(5-morpholin-4-ylsulfonylpyridin-1-ium-2-yl)amino]propanenitrile Traditional Name: 3-[(5-morpholinosulfonylpyridin-1-ium-2-yl)amino]propionitrile Formula: C12H17N4O3S+ MolecularWeight: 297.35338

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=C[NH+]=C(C=C2)NCCC#N

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=C[NH+]=C(C=C2)NCCC#N

InChI

InChI=1S/C12H16N4O3S/c13-4-1-5-14-12-3-2-11(10-15-12)20(17,18)16-6-8-19-9-7-16/h2-3,10H,1,5-9H2,(H,14,15)/p+1