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

Systemtic Name: 4-[4-(4-fluorophenyl)piperazin-1-yl]-3-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one Openeye Name: 4-[4-(4-fluorophenyl)piperazin-1-yl]-3-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one CAS Name: 4-[4-(4-fluorophenyl)-1-piperazinyl]-3-(1-pyrrolidin-1-iumylmethyl)-1-benzopyran-2-one IUPAC Name: 4-[4-(4-fluorophenyl)piperazin-1-yl]-3-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one Traditional Name: 4-[4-(4-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=C(C=C5)F

Isomeric SMILES

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

InChI

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