N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-oxidanylidene-6-(thiomorpholin-4-ium-4-ylmethyl)-1H-pyridine-3-carboxamide

Systemtic Name: N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-oxidanylidene-6-(thiomorpholin-4-ium-4-ylmethyl)-1H-pyridine-3-carboxamide Openeye Name: N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-oxo-6-(thiomorpholin-4-ium-4-ylmethyl)-1H-pyridine-3-carboxamide CAS Name: N-[2-(3,5-dimethyl-1-pyrazolyl)ethyl]-2-oxo-6-(4-thiomorpholin-4-iumylmethyl)-1H-pyridine-3-carboxamide IUPAC Name: N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-oxo-6-(thiomorpholin-4-ium-4-ylmethyl)-1H-pyridine-3-carboxamide Traditional Name: N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-keto-6-(thiomorpholin-4-ium-4-ylmethyl)-1H-pyridine-3-carboxamide Formula: C18H26N5O2S+ MolecularWeight: 376.49634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCNC(=O)C2=CC=C(NC2=O)C[NH+]3CCSCC3)C

Isomeric SMILES

CC1=CC(=NN1CCNC(=O)C2=CC=C(NC2=O)C[NH+]3CCSCC3)C

InChI

InChI=1S/C18H25N5O2S/c1-13-11-14(2)23(21-13)6-5-19-17(24)16-4-3-15(20-18(16)25)12-22-7-9-26-10-8-22/h3-4,11H,5-10,12H2,1-2H3,(H,19,24)(H,20,25)/p+1