2-[(3S)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]piperidin-1-yl]carbonylchromen-4-one

Systemtic Name: 2-[(3S)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]piperidin-1-yl]carbonylchromen-4-one Openeye Name: 2-[(3S)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]piperidine-1-carbonyl]chromen-4-one CAS Name: 2-[[(3S)-3-[4-(2-fluorophenyl)-1-piperazin-1-iumyl]-1-piperidinyl]-oxomethyl]-1-benzopyran-4-one IUPAC Name: 2-[(3S)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]piperidine-1-carbonyl]chromen-4-one Traditional Name: 2-[(3S)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]piperidine-1-carbonyl]chromone Formula: C25H27FN3O3+ MolecularWeight: 436.498583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC(=O)C3=CC=CC=C3O2)[NH+]4CCN(CC4)C5=CC=CC=C5F

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=CC(=O)C3=CC=CC=C3O2)[NH+]4CCN(CC4)C5=CC=CC=C5F

InChI

InChI=1S/C25H26FN3O3/c26-20-8-2-3-9-21(20)28-14-12-27(13-15-28)18-6-5-11-29(17-18)25(31)24-16-22(30)19-7-1-4-10-23(19)32-24/h1-4,7-10,16,18H,5-6,11-15,17H2/p+1/t18-/m0/s1