(2R)-N-(4-methoxy-2-nitro-phenyl)-2-(4-methylpiperidin-1-ium-1-yl)propanamide

Systemtic Name: (2R)-N-(4-methoxy-2-nitro-phenyl)-2-(4-methylpiperidin-1-ium-1-yl)propanamide Openeye Name: (2R)-N-(4-methoxy-2-nitro-phenyl)-2-(4-methylpiperidin-1-ium-1-yl)propanamide CAS Name: (2R)-N-(4-methoxy-2-nitrophenyl)-2-(4-methyl-1-piperidin-1-iumyl)propanamide IUPAC Name: (2R)-N-(4-methoxy-2-nitrophenyl)-2-(4-methylpiperidin-1-ium-1-yl)propanamide Traditional Name: (2R)-N-(4-methoxy-2-nitro-phenyl)-2-(4-methylpiperidin-1-ium-1-yl)propionamide Formula: C16H24N3O4+ MolecularWeight: 322.37946

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(C)C(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CC1CC[NH+](CC1)[C@H](C)C(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C16H23N3O4/c1-11-6-8-18(9-7-11)12(2)16(20)17-14-5-4-13(23-3)10-15(14)19(21)22/h4-5,10-12H,6-9H2,1-3H3,(H,17,20)/p+1/t12-/m1/s1