2-[4-(3-chloranyl-5-methoxy-4-propoxy-phenyl)carbonylpiperazin-1-ium-1-yl]-N-(3-fluorophenyl)ethanamide

Systemtic Name: 2-[4-(3-chloranyl-5-methoxy-4-propoxy-phenyl)carbonylpiperazin-1-ium-1-yl]-N-(3-fluorophenyl)ethanamide Openeye Name: 2-[4-(3-chloro-5-methoxy-4-propoxy-benzoyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide CAS Name: 2-[4-[(3-chloro-5-methoxy-4-propoxyphenyl)-oxomethyl]-1-piperazin-1-iumyl]-N-(3-fluorophenyl)acetamide IUPAC Name: 2-[4-(3-chloro-5-methoxy-4-propoxybenzoyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide Traditional Name: 2-[4-(3-chloro-5-methoxy-4-propoxy-benzoyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide Formula: C23H28ClFN3O4+ MolecularWeight: 464.937523

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C(=O)N2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)F)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)C(=O)N2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)F)OC

InChI

InChI=1S/C23H27ClFN3O4/c1-3-11-32-22-19(24)12-16(13-20(22)31-2)23(30)28-9-7-27(8-10-28)15-21(29)26-18-6-4-5-17(25)14-18/h4-6,12-14H,3,7-11,15H2,1-2H3,(H,26,29)/p+1