N-(3-fluorophenyl)-2-[4-[2-(5-methyl-2-propan-2-yl-phenoxy)ethanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-fluorophenyl)-2-[4-[2-(5-methyl-2-propan-2-yl-phenoxy)ethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-fluorophenyl)-2-[4-[2-(2-isopropyl-5-methyl-phenoxy)acetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-fluorophenyl)-2-[4-[2-(5-methyl-2-propan-2-ylphenoxy)-1-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-fluorophenyl)-2-[4-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-fluorophenyl)-2-[4-[2-(2-isopropyl-5-methyl-phenoxy)acetyl]piperazin-1-ium-1-yl]acetamide Formula: C24H31FN3O3+ MolecularWeight: 428.519643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30FN3O3/c1-17(2)21-8-7-18(3)13-22(21)31-16-24(30)28-11-9-27(10-12-28)15-23(29)26-20-6-4-5-19(25)14-20/h4-8,13-14,17H,9-12,15-16H2,1-3H3,(H,26,29)/p+1