2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]-N-(3-morpholin-4-ium-4-ylpropyl)ethanamide

Systemtic Name: 2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]-N-(3-morpholin-4-ium-4-ylpropyl)ethanamide Openeye Name: 2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]-N-(3-morpholin-4-ium-4-ylpropyl)acetamide CAS Name: 2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)thio]-N-[3-(4-morpholin-4-iumyl)propyl]acetamide IUPAC Name: 2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]-N-(3-morpholin-4-ium-4-ylpropyl)acetamide Traditional Name: 2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)thio]-N-(3-morpholin-4-ium-4-ylpropyl)acetamide Formula: C13H22N5O4S+ MolecularWeight: 344.40988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)SCC(=O)NCCC[NH+]2CCOCC2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1)SCC(=O)NCCC[NH+]2CCOCC2)[N+](=O)[O-]

InChI

InChI=1S/C13H21N5O4S/c1-10-12(18(20)21)13(16-15-10)23-9-11(19)14-3-2-4-17-5-7-22-8-6-17/h2-9H2,1H3,(H,14,19)(H,15,16)/p+1