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

Systemtic Name: 4-[4-(2-fluorophenyl)piperazin-1-yl]-3-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one Openeye Name: 4-[4-(2-fluorophenyl)piperazin-1-yl]-3-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one CAS Name: 4-[4-(2-fluorophenyl)-1-piperazinyl]-3-(1-pyrrolidin-1-iumylmethyl)-1-benzopyran-2-one IUPAC Name: 4-[4-(2-fluorophenyl)piperazin-1-yl]-3-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one Traditional Name: 4-[4-(2-fluorophenyl)piperazino]-3-(pyrrolidin-1-ium-1-ylmethyl)coumarin Formula: C24H27FN3O2+ MolecularWeight: 408.488483

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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=C5F

Isomeric SMILES

C1CC[NH+](C1)CC2=C(C3=CC=CC=C3OC2=O)N4CCN(CC4)C5=CC=CC=C5F

InChI

InChI=1S/C24H26FN3O2/c25-20-8-2-3-9-21(20)27-13-15-28(16-14-27)23-18-7-1-4-10-22(18)30-24(29)19(23)17-26-11-5-6-12-26/h1-4,7-10H,5-6,11-17H2/p+1