[1-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]-4-piperidin-1-ium-1-yl-piperidin-4-yl]carbonylazanium dichloride

Systemtic Name: [1-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]-4-piperidin-1-ium-1-yl-piperidin-4-yl]carbonylazanium dichloride Openeye Name: [1-[4-(4-fluorophenyl)-4-oxo-butyl]-4-piperidin-1-ium-1-yl-piperidine-4-carbonyl]ammonium dichloride CAS Name: [[1-[4-(4-fluorophenyl)-4-oxobutyl]-4-(1-piperidin-1-iumyl)-4-piperidinyl]-oxomethyl]ammonium dichloride IUPAC Name: [1-[4-(4-fluorophenyl)-4-oxobutyl]-4-piperidin-1-ium-1-ylpiperidine-4-carbonyl]azanium dichloride Traditional Name: [1-[4-(4-fluorophenyl)-4-keto-butyl]-4-piperidin-1-ium-1-yl-isonipecotoyl]ammonium dichloride Formula: C21H32Cl2FN3O2 MolecularWeight: 448.402083

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2(CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)C(=O)[NH3+].[Cl-].[Cl-]

Isomeric SMILES

C1CC[NH+](CC1)C2(CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)C(=O)[NH3+].[Cl-].[Cl-]

InChI

InChI=1S/C21H30FN3O2.2ClH/c22-18-8-6-17(7-9-18)19(26)5-4-12-24-15-10-21(11-16-24,20(23)27)25-13-2-1-3-14-25;;/h6-9H,1-5,10-16H2,(H2,23,27);2*1H