N-(2-methoxyphenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propanamide

Systemtic Name: N-(2-methoxyphenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propanamide Openeye Name: N-(2-methoxyphenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propanamide CAS Name: N-(2-methoxyphenyl)-3-[4-[3-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]propanamide IUPAC Name: N-(2-methoxyphenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propanamide Traditional Name: N-(2-methoxyphenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propionamide Formula: C21H25F3N3O2+ MolecularWeight: 408.43731

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)CC[NH+]2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

COC1=CC=CC=C1NC(=O)CC[NH+]2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C21H24F3N3O2/c1-29-19-8-3-2-7-18(19)25-20(28)9-10-26-11-13-27(14-12-26)17-6-4-5-16(15-17)21(22,23)24/h2-8,15H,9-14H2,1H3,(H,25,28)/p+1