N-(5-methoxy-2-methyl-4-nitro-phenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(5-methoxy-2-methyl-4-nitro-phenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanamide Openeye Name: N-(5-methoxy-2-methyl-4-nitro-phenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide CAS Name: N-(5-methoxy-2-methyl-4-nitrophenyl)-2-[(2S)-2-methyl-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(5-methoxy-2-methyl-4-nitrophenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide Traditional Name: N-(5-methoxy-2-methyl-4-nitro-phenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide Formula: C16H24N3O4+ MolecularWeight: 322.37946

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC(=O)NC2=CC(=C(C=C2C)[N+](=O)[O-])OC

Isomeric SMILES

C[C@H]1CCCC[NH+]1CC(=O)NC2=CC(=C(C=C2C)[N+](=O)[O-])OC

InChI

InChI=1S/C16H23N3O4/c1-11-8-14(19(21)22)15(23-3)9-13(11)17-16(20)10-18-7-5-4-6-12(18)2/h8-9,12H,4-7,10H2,1-3H3,(H,17,20)/p+1/t12-/m0/s1