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

Systemtic Name: N-(2-methyl-5-nitro-phenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanamide Openeye Name: N-(2-methyl-5-nitro-phenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide CAS Name: N-(2-methyl-5-nitrophenyl)-2-[(2S)-2-methyl-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(2-methyl-5-nitrophenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide Traditional Name: N-(2-methyl-5-nitro-phenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide Formula: C15H22N3O3+ MolecularWeight: 292.35348

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O3/c1-11-6-7-13(18(20)21)9-14(11)16-15(19)10-17-8-4-3-5-12(17)2/h6-7,9,12H,3-5,8,10H2,1-2H3,(H,16,19)/p+1/t12-/m0/s1