3-nitro-N-[(1S)-2,2,2-tris(chloranyl)-1-piperidin-1-ium-1-yl-ethyl]benzamide

Systemtic Name: 3-nitro-N-[(1S)-2,2,2-tris(chloranyl)-1-piperidin-1-ium-1-yl-ethyl]benzamide Openeye Name: 3-nitro-N-[(1S)-2,2,2-trichloro-1-piperidin-1-ium-1-yl-ethyl]benzamide CAS Name: 3-nitro-N-[(1S)-2,2,2-trichloro-1-(1-piperidin-1-iumyl)ethyl]benzamide IUPAC Name: 3-nitro-N-[(1S)-2,2,2-trichloro-1-piperidin-1-ium-1-ylethyl]benzamide Traditional Name: 3-nitro-N-[(1S)-2,2,2-trichloro-1-piperidin-1-ium-1-yl-ethyl]benzamide Formula: C14H17Cl3N3O3+ MolecularWeight: 381.66208

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(C(Cl)(Cl)Cl)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)[C@@H](C(Cl)(Cl)Cl)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H16Cl3N3O3/c15-14(16,17)13(19-7-2-1-3-8-19)18-12(21)10-5-4-6-11(9-10)20(22)23/h4-6,9,13H,1-3,7-8H2,(H,18,21)/p+1/t13-/m0/s1