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

Systemtic Name: 2-(5-methyl-3-nitro-pyrazol-1-yl)-N-(3-morpholin-4-ium-4-ylpropyl)ethanamide Openeye Name: 2-(5-methyl-3-nitro-pyrazol-1-yl)-N-(3-morpholin-4-ium-4-ylpropyl)acetamide CAS Name: 2-(5-methyl-3-nitro-1-pyrazolyl)-N-[3-(4-morpholin-4-iumyl)propyl]acetamide IUPAC Name: 2-(5-methyl-3-nitropyrazol-1-yl)-N-(3-morpholin-4-ium-4-ylpropyl)acetamide Traditional Name: 2-(5-methyl-3-nitro-pyrazol-1-yl)-N-(3-morpholin-4-ium-4-ylpropyl)acetamide Formula: C13H22N5O4+ MolecularWeight: 312.34488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21N5O4/c1-11-9-12(18(20)21)15-17(11)10-13(19)14-3-2-4-16-5-7-22-8-6-16/h9H,2-8,10H2,1H3,(H,14,19)/p+1