3-(pyrrolidin-1-ium-1-ylmethyl)-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]chromen-2-one

Systemtic Name: 3-(pyrrolidin-1-ium-1-ylmethyl)-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]chromen-2-one Openeye Name: 3-(pyrrolidin-1-ium-1-ylmethyl)-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]chromen-2-one CAS Name: 3-(1-pyrrolidin-1-iumylmethyl)-4-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]-1-benzopyran-2-one IUPAC Name: 3-(pyrrolidin-1-ium-1-ylmethyl)-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]chromen-2-one Traditional Name: 3-(pyrrolidin-1-ium-1-ylmethyl)-4-[4-[3-(trifluoromethyl)phenyl]piperazino]coumarin Formula: C25H27F3N3O2+ MolecularWeight: 458.49599

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=C(C3=CC=CC=C3OC2=O)N4CCN(CC4)C5=CC=CC(=C5)C(F)(F)F

Isomeric SMILES

C1CC[NH+](C1)CC2=C(C3=CC=CC=C3OC2=O)N4CCN(CC4)C5=CC=CC(=C5)C(F)(F)F

InChI

InChI=1S/C25H26F3N3O2/c26-25(27,28)18-6-5-7-19(16-18)30-12-14-31(15-13-30)23-20-8-1-2-9-22(20)33-24(32)21(23)17-29-10-3-4-11-29/h1-2,5-9,16H,3-4,10-15,17H2/p+1