N-(5-chloranyl-2-nitro-phenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(5-chloranyl-2-nitro-phenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanamide Openeye Name: N-(5-chloro-2-nitro-phenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide CAS Name: N-(5-chloro-2-nitrophenyl)-2-[(3S)-3-methyl-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(5-chloro-2-nitrophenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide Traditional Name: N-(5-chloro-2-nitro-phenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide Formula: C14H19ClN3O3+ MolecularWeight: 312.77196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18ClN3O3/c1-10-3-2-6-17(8-10)9-14(19)16-12-7-11(15)4-5-13(12)18(20)21/h4-5,7,10H,2-3,6,8-9H2,1H3,(H,16,19)/p+1/t10-/m0/s1