2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(3-morpholin-4-ium-4-ylpropyl)ethanamide

Systemtic Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(3-morpholin-4-ium-4-ylpropyl)ethanamide Openeye Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(3-morpholin-4-ium-4-ylpropyl)acetamide CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-[3-(4-morpholin-4-iumyl)propyl]acetamide IUPAC Name: 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3-morpholin-4-ium-4-ylpropyl)acetamide Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(3-morpholin-4-ium-4-ylpropyl)acetamide Formula: C14H24N5O4+ MolecularWeight: 326.37146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NCCC[NH+]2CCOCC2)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NCCC[NH+]2CCOCC2)C)[N+](=O)[O-]

InChI

InChI=1S/C14H23N5O4/c1-11-14(19(21)22)12(2)18(16-11)10-13(20)15-4-3-5-17-6-8-23-9-7-17/h3-10H2,1-2H3,(H,15,20)/p+1