N-[3-(4-fluorophenyl)-4-oxidanylidene-chromen-2-yl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[3-(4-fluorophenyl)-4-oxidanylidene-chromen-2-yl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[3-(4-fluorophenyl)-4-oxo-chromen-2-yl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[3-(4-fluorophenyl)-4-oxo-1-benzopyran-2-yl]-2-(4-phenyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[3-(4-fluorophenyl)-4-oxochromen-2-yl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[3-(4-fluorophenyl)-4-keto-chromen-2-yl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Formula: C27H25FN3O3+ MolecularWeight: 458.504103

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=C(C(=O)C3=CC=CC=C3O2)C4=CC=C(C=C4)F)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=C(C(=O)C3=CC=CC=C3O2)C4=CC=C(C=C4)F)C5=CC=CC=C5

InChI

InChI=1S/C27H24FN3O3/c28-20-12-10-19(11-13-20)25-26(33)22-8-4-5-9-23(22)34-27(25)29-24(32)18-30-14-16-31(17-15-30)21-6-2-1-3-7-21/h1-13H,14-18H2,(H,29,32)/p+1