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

Systemtic Name: N-(2-chloranyl-4-nitro-phenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanamide Openeye Name: N-(2-chloro-4-nitro-phenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide CAS Name: N-(2-chloro-4-nitrophenyl)-2-[(2S)-2-methyl-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(2-chloro-4-nitrophenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide Traditional Name: N-(2-chloro-4-nitro-phenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide Formula: C14H19ClN3O3+ MolecularWeight: 312.77196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18ClN3O3/c1-10-4-2-3-7-17(10)9-14(19)16-13-6-5-11(18(20)21)8-12(13)15/h5-6,8,10H,2-4,7,9H2,1H3,(H,16,19)/p+1/t10-/m0/s1