N-(3-fluorophenyl)-2-[4-[4-(4-methylphenoxy)butanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-fluorophenyl)-2-[4-[4-(4-methylphenoxy)butanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-fluorophenyl)-2-[4-[4-(4-methylphenoxy)butanoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-fluorophenyl)-2-[4-[4-(4-methylphenoxy)-1-oxobutyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-fluorophenyl)-2-[4-[4-(4-methylphenoxy)butanoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-fluorophenyl)-2-[4-[4-(4-methylphenoxy)butanoyl]piperazin-1-ium-1-yl]acetamide Formula: C23H29FN3O3+ MolecularWeight: 414.493063

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCCC(=O)N2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)F

Isomeric SMILES

CC1=CC=C(C=C1)OCCCC(=O)N2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)F

InChI

InChI=1S/C23H28FN3O3/c1-18-7-9-21(10-8-18)30-15-3-6-23(29)27-13-11-26(12-14-27)17-22(28)25-20-5-2-4-19(24)16-20/h2,4-5,7-10,16H,3,6,11-15,17H2,1H3,(H,25,28)/p+1