N-(2-methoxy-5-nitro-phenyl)-3-[(3R)-3-methylpiperidin-1-ium-1-yl]propanamide

Systemtic Name: N-(2-methoxy-5-nitro-phenyl)-3-[(3R)-3-methylpiperidin-1-ium-1-yl]propanamide Openeye Name: N-(2-methoxy-5-nitro-phenyl)-3-[(3R)-3-methylpiperidin-1-ium-1-yl]propanamide CAS Name: N-(2-methoxy-5-nitrophenyl)-3-[(3R)-3-methyl-1-piperidin-1-iumyl]propanamide IUPAC Name: N-(2-methoxy-5-nitrophenyl)-3-[(3R)-3-methylpiperidin-1-ium-1-yl]propanamide Traditional Name: N-(2-methoxy-5-nitro-phenyl)-3-[(3R)-3-methylpiperidin-1-ium-1-yl]propionamide Formula: C16H24N3O4+ MolecularWeight: 322.37946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O4/c1-12-4-3-8-18(11-12)9-7-16(20)17-14-10-13(19(21)22)5-6-15(14)23-2/h5-6,10,12H,3-4,7-9,11H2,1-2H3,(H,17,20)/p+1/t12-/m1/s1