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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21N5O4/c1-10-13(18(20)21)11(2)17(15-10)9-12(19)14-3-4-16-5-7-22-8-6-16/h3-9H2,1-2H3,(H,14,19)/p+1