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

Systemtic Name: N-(4-fluorophenyl)-2-[4-[4-(2-methylpropyl)phenyl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-fluorophenyl)-2-[4-(4-isobutylbenzoyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(4-fluorophenyl)-2-[4-[[4-(2-methylpropyl)phenyl]-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-fluorophenyl)-2-[4-[4-(2-methylpropyl)benzoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-fluorophenyl)-2-[4-(4-isobutylbenzoyl)piperazin-1-ium-1-yl]acetamide Formula: C23H29FN3O2+ MolecularWeight: 398.493663

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28FN3O2/c1-17(2)15-18-3-5-19(6-4-18)23(29)27-13-11-26(12-14-27)16-22(28)25-21-9-7-20(24)8-10-21/h3-10,17H,11-16H2,1-2H3,(H,25,28)/p+1