N-[3-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]thiophene-2-carboxamide

Systemtic Name: N-[3-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]thiophene-2-carboxamide Openeye Name: N-[3-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]thiophene-2-carboxamide CAS Name: N-[3-[[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[3-[4-(3-fluoro-4-methoxy-benzyl)piperazin-4-ium-1-carbonyl]phenyl]thiophene-2-carboxamide Formula: C24H25FN3O3S+ MolecularWeight: 454.537003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)NC(=O)C4=CC=CS4)F

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)NC(=O)C4=CC=CS4)F

InChI

InChI=1S/C24H24FN3O3S/c1-31-21-8-7-17(14-20(21)25)16-27-9-11-28(12-10-27)24(30)18-4-2-5-19(15-18)26-23(29)22-6-3-13-32-22/h2-8,13-15H,9-12,16H2,1H3,(H,26,29)/p+1