N-(4-fluorophenyl)-2-[4-(4-phenoxybutanoyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-fluorophenyl)-2-[4-(4-phenoxybutanoyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-fluorophenyl)-2-[4-(4-phenoxybutanoyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(4-fluorophenyl)-2-[4-(1-oxo-4-phenoxybutyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-fluorophenyl)-2-[4-(4-phenoxybutanoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-fluorophenyl)-2-[4-(4-phenoxybutanoyl)piperazin-1-ium-1-yl]acetamide Formula: C22H27FN3O3+ MolecularWeight: 400.466483

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)F)C(=O)CCCOC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)F)C(=O)CCCOC3=CC=CC=C3

InChI

InChI=1S/C22H26FN3O3/c23-18-8-10-19(11-9-18)24-21(27)17-25-12-14-26(15-13-25)22(28)7-4-16-29-20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,24,27)/p+1