1-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-4-thiophen-2-yl-butane-1,4-dione

Systemtic Name: 1-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-4-thiophen-2-yl-butane-1,4-dione Openeye Name: 1-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-4-(2-thienyl)butane-1,4-dione CAS Name: 1-[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-4-thiophen-2-ylbutane-1,4-dione IUPAC Name: 1-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-4-thiophen-2-ylbutane-1,4-dione Traditional Name: 1-[4-(3-fluoro-4-methoxy-benzyl)piperazin-4-ium-1-yl]-4-(2-thienyl)butane-1,4-dione Formula: C20H24FN2O3S+ MolecularWeight: 391.479563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)CCC(=O)C3=CC=CS3)F

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)CCC(=O)C3=CC=CS3)F

InChI

InChI=1S/C20H23FN2O3S/c1-26-18-6-4-15(13-16(18)21)14-22-8-10-23(11-9-22)20(25)7-5-17(24)19-3-2-12-27-19/h2-4,6,12-13H,5,7-11,14H2,1H3/p+1