N-(3-fluorophenyl)-2-[4-[3-(2-methylpropoxy)phenyl]carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-fluorophenyl)-2-[4-[3-(2-methylpropoxy)phenyl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-fluorophenyl)-2-[4-(3-isobutoxybenzoyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-fluorophenyl)-2-[4-[[3-(2-methylpropoxy)phenyl]-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-fluorophenyl)-2-[4-[3-(2-methylpropoxy)benzoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-fluorophenyl)-2-[4-(3-isobutoxybenzoyl)piperazin-1-ium-1-yl]acetamide Formula: C23H29FN3O3+ MolecularWeight: 414.493063

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)F

Isomeric SMILES

CC(C)COC1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)F

InChI

InChI=1S/C23H28FN3O3/c1-17(2)16-30-21-8-3-5-18(13-21)23(29)27-11-9-26(10-12-27)15-22(28)25-20-7-4-6-19(24)14-20/h3-8,13-14,17H,9-12,15-16H2,1-2H3,(H,25,28)/p+1