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

Systemtic Name: 1-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carboxamide dichloride Openeye Name: 1-[4-(4-fluorophenyl)-4-oxo-butyl]-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carboxamide dichloride CAS Name: 1-[4-(4-fluorophenyl)-4-oxobutyl]-4-(1-piperidin-1-iumyl)-4-piperidin-1-iumcarboxamide dichloride IUPAC Name: 1-[4-(4-fluorophenyl)-4-oxobutyl]-4-piperidin-1-ium-1-ylpiperidin-1-ium-4-carboxamide dichloride Traditional Name: 1-[4-(4-fluorophenyl)-4-keto-butyl]-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carboxamide dichloride Formula: C21H32Cl2FN3O2 MolecularWeight: 448.402083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1CC[NH+](CC1)C2(CC[NH+](CC2)CCCC(=O)C3=CC=C(C=C3)F)C(=O)N.[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