2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)-N-[3-(1-methylpyrrolidin-1-ium-2-yl)pyridin-1-ium-2-yl]ethanamide

Systemtic Name: 2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)-N-[3-(1-methylpyrrolidin-1-ium-2-yl)pyridin-1-ium-2-yl]ethanamide Openeye Name: 2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)-N-[3-(1-methylpyrrolidin-1-ium-2-yl)pyridin-1-ium-2-yl]acetamide CAS Name: 2-(4-bromo-5-methyl-3-nitro-1-pyrazolyl)-N-[3-(1-methyl-2-pyrrolidin-1-iumyl)-2-pyridin-1-iumyl]acetamide IUPAC Name: 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-[3-(1-methylpyrrolidin-1-ium-2-yl)pyridin-1-ium-2-yl]acetamide Traditional Name: 2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)-N-[3-(1-methylpyrrolidin-1-ium-2-yl)pyridin-1-ium-2-yl]acetamide Formula: C16H21BrN6O3+2 MolecularWeight: 425.28034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NC2=C(C=CC=[NH+]2)C3CCC[NH+]3C)[N+](=O)[O-])Br

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NC2=C(C=CC=[NH+]2)C3CCC[NH+]3C)[N+](=O)[O-])Br

InChI

InChI=1S/C16H19BrN6O3/c1-10-14(17)16(23(25)26)20-22(10)9-13(24)19-15-11(5-3-7-18-15)12-6-4-8-21(12)2/h3,5,7,12H,4,6,8-9H2,1-2H3,(H,18,19,24)/p+2