methanesulfonic acid; 2-morpholin-4-yl-5-(1-oxidanidylpyridin-1-ium-4-yl)pyridine-3-carbonitrile

Systemtic Name: methanesulfonic acid; 2-morpholin-4-yl-5-(1-oxidanidylpyridin-1-ium-4-yl)pyridine-3-carbonitrile Openeye Name: methanesulfonic acid; 2-morpholino-5-(1-oxidopyridin-1-ium-4-yl)pyridine-3-carbonitrile CAS Name: methanesulfonic acid; 2-(4-morpholinyl)-5-(1-oxido-4-pyridin-1-iumyl)-3-pyridinecarbonitrile IUPAC Name: methanesulfonic acid; 2-morpholin-4-yl-5-(1-oxidopyridin-1-ium-4-yl)pyridine-3-carbonitrile Traditional Name: mesylic acid; 2-morpholino-5-(1-oxidopyridin-1-ium-4-yl)nicotinonitrile Formula: C16H18N4O5S MolecularWeight: 378.40292

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.C1COCCN1C2=NC=C(C=C2C#N)C3=CC=[N+](C=C3)[O-]

Isomeric SMILES

CS(=O)(=O)O.C1COCCN1C2=NC=C(C=C2C#N)C3=CC=[N+](C=C3)[O-]

InChI

InChI=1S/C15H14N4O2.CH4O3S/c16-10-13-9-14(12-1-3-19(20)4-2-12)11-17-15(13)18-5-7-21-8-6-18;1-5(2,3)4/h1-4,9,11H,5-8H2;1H3,(H,2,3,4)