N-(4,5-dimethyl-2-nitro-phenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4,5-dimethyl-2-nitro-phenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethanamide Openeye Name: N-(4,5-dimethyl-2-nitro-phenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide CAS Name: N-(4,5-dimethyl-2-nitrophenyl)-2-[(3R)-3-methyl-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(4,5-dimethyl-2-nitrophenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide Traditional Name: N-(4,5-dimethyl-2-nitro-phenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide Formula: C16H24N3O3+ MolecularWeight: 306.38006

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC(=O)NC2=C(C=C(C(=C2)C)C)[N+](=O)[O-]

Isomeric SMILES

C[C@@H]1CCC[NH+](C1)CC(=O)NC2=C(C=C(C(=C2)C)C)[N+](=O)[O-]

InChI

InChI=1S/C16H23N3O3/c1-11-5-4-6-18(9-11)10-16(20)17-14-7-12(2)13(3)8-15(14)19(21)22/h7-8,11H,4-6,9-10H2,1-3H3,(H,17,20)/p+1/t11-/m1/s1