N-(2-methyl-5-nitro-phenyl)-2-piperidin-1-ium-1-yl-ethanamide

Systemtic Name: N-(2-methyl-5-nitro-phenyl)-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-(2-methyl-5-nitro-phenyl)-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-(2-methyl-5-nitrophenyl)-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-(2-methyl-5-nitrophenyl)-2-piperidin-1-ium-1-ylacetamide Traditional Name: N-(2-methyl-5-nitro-phenyl)-2-piperidin-1-ium-1-yl-acetamide Formula: C14H20N3O3+ MolecularWeight: 278.3269

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C[NH+]2CCCCC2

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C[NH+]2CCCCC2

InChI

InChI=1S/C14H19N3O3/c1-11-5-6-12(17(19)20)9-13(11)15-14(18)10-16-7-3-2-4-8-16/h5-6,9H,2-4,7-8,10H2,1H3,(H,15,18)/p+1