N-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-pyridin-3-yl-ethyl]-2,2-dimethyl-propanamide

Systemtic Name: N-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-pyridin-3-yl-ethyl]-2,2-dimethyl-propanamide Openeye Name: N-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-(3-pyridyl)ethyl]-2,2-dimethyl-propanamide CAS Name: N-[2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-2-(3-pyridinyl)ethyl]-2,2-dimethylpropanamide IUPAC Name: N-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-pyridin-3-ylethyl]-2,2-dimethylpropanamide Traditional Name: N-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-(3-pyridyl)ethyl]-2,2-dimethyl-propionamide Formula: C22H30FN4O+ MolecularWeight: 385.498203

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NCC(C1=CN=CC=C1)[NH+]2CCN(CC2)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)(C)C(=O)NCC(C1=CN=CC=C1)[NH+]2CCN(CC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H29FN4O/c1-22(2,3)21(28)25-16-20(17-5-4-10-24-15-17)27-13-11-26(12-14-27)19-8-6-18(23)7-9-19/h4-10,15,20H,11-14,16H2,1-3H3,(H,25,28)/p+1