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

Systemtic Name: 1-[(2-nitrophenoxy)methyl]-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)pyrazole-3-carboxamide Openeye Name: 1-[(2-nitrophenoxy)methyl]-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)pyrazole-3-carboxamide CAS Name: 1-[(2-nitrophenoxy)methyl]-N-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)-3-pyrazolecarboxamide IUPAC Name: 1-[(2-nitrophenoxy)methyl]-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)pyrazole-3-carboxamide Traditional Name: 1-[(2-nitrophenoxy)methyl]-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)pyrazole-3-carboxamide Formula: C20H28N5O4+ MolecularWeight: 402.46742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N5O4/c1-19(2)11-14(12-20(3,4)23-19)21-18(26)15-9-10-24(22-15)13-29-17-8-6-5-7-16(17)25(27)28/h5-10,14,23H,11-13H2,1-4H3,(H,21,26)/p+1