1-(3-nitrophenyl)-3-piperidin-1-ium-1-yl-propan-1-one chloride

Systemtic Name: 1-(3-nitrophenyl)-3-piperidin-1-ium-1-yl-propan-1-one chloride Openeye Name: 1-(3-nitrophenyl)-3-piperidin-1-ium-1-yl-propan-1-one chloride CAS Name: 1-(3-nitrophenyl)-3-(1-piperidin-1-iumyl)-1-propanone chloride IUPAC Name: 1-(3-nitrophenyl)-3-piperidin-1-ium-1-ylpropan-1-one chloride Traditional Name: 1-(3-nitrophenyl)-3-piperidin-1-ium-1-yl-propan-1-one chloride Formula: C14H19ClN2O3 MolecularWeight: 298.76526

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCC(=O)C2=CC(=CC=C2)[N+](=O)[O-].[Cl-]

Isomeric SMILES

C1CC[NH+](CC1)CCC(=O)C2=CC(=CC=C2)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C14H18N2O3.ClH/c17-14(7-10-15-8-2-1-3-9-15)12-5-4-6-13(11-12)16(18)19;/h4-6,11H,1-3,7-10H2;1H