1-[(2-chloranyl-4-nitro-phenoxy)methyl]-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)pyrazole-3-carboxamide

Systemtic Name: 1-[(2-chloranyl-4-nitro-phenoxy)methyl]-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)pyrazole-3-carboxamide Openeye Name: 1-[(2-chloro-4-nitro-phenoxy)methyl]-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)pyrazole-3-carboxamide CAS Name: 1-[(2-chloro-4-nitrophenoxy)methyl]-N-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)-3-pyrazolecarboxamide IUPAC Name: 1-[(2-chloro-4-nitrophenoxy)methyl]-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)pyrazole-3-carboxamide Traditional Name: 1-[(2-chloro-4-nitro-phenoxy)methyl]-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)pyrazole-3-carboxamide Formula: C20H27ClN5O4+ MolecularWeight: 436.91248

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC([NH2+]1)(C)C)NC(=O)C2=NN(C=C2)COC3=C(C=C(C=C3)[N+](=O)[O-])Cl)C

Isomeric SMILES

CC1(CC(CC([NH2+]1)(C)C)NC(=O)C2=NN(C=C2)COC3=C(C=C(C=C3)[N+](=O)[O-])Cl)C

InChI

InChI=1S/C20H26ClN5O4/c1-19(2)10-13(11-20(3,4)24-19)22-18(27)16-7-8-25(23-16)12-30-17-6-5-14(26(28)29)9-15(17)21/h5-9,13,24H,10-12H2,1-4H3,(H,22,27)/p+1