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

Systemtic Name: 2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)-N-(3-morpholin-4-ium-4-ylpropyl)ethanamide Openeye Name: 2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)-N-(3-morpholin-4-ium-4-ylpropyl)acetamide CAS Name: 2-(4-bromo-5-methyl-3-nitro-1-pyrazolyl)-N-[3-(4-morpholin-4-iumyl)propyl]acetamide IUPAC Name: 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(3-morpholin-4-ium-4-ylpropyl)acetamide Traditional Name: 2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)-N-(3-morpholin-4-ium-4-ylpropyl)acetamide Formula: C13H21BrN5O4+ MolecularWeight: 391.24094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20BrN5O4/c1-10-12(14)13(19(21)22)16-18(10)9-11(20)15-3-2-4-17-5-7-23-8-6-17/h2-9H2,1H3,(H,15,20)/p+1