1-[2-[2,4-bis(fluoranyl)phenyl]-1-oxidanylidene-isoquinolin-4-yl]carbonyl-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide

Systemtic Name: 1-[2-[2,4-bis(fluoranyl)phenyl]-1-oxidanylidene-isoquinolin-4-yl]carbonyl-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide Openeye Name: 1-[2-(2,4-difluorophenyl)-1-oxo-isoquinoline-4-carbonyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide CAS Name: 1-[[2-(2,4-difluorophenyl)-1-oxo-4-isoquinolinyl]-oxomethyl]-4-(1-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-[2-(2,4-difluorophenyl)-1-oxoisoquinoline-4-carbonyl]-4-piperidin-1-ium-1-ylpiperidine-4-carboxamide Traditional Name: 1-[2-(2,4-difluorophenyl)-1-keto-isoquinoline-4-carbonyl]-4-piperidin-1-ium-1-yl-isonipecotamide Formula: C27H29F2N4O3+ MolecularWeight: 495.540966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2(CCN(CC2)C(=O)C3=CN(C(=O)C4=CC=CC=C43)C5=C(C=C(C=C5)F)F)C(=O)N

Isomeric SMILES

C1CC[NH+](CC1)C2(CCN(CC2)C(=O)C3=CN(C(=O)C4=CC=CC=C43)C5=C(C=C(C=C5)F)F)C(=O)N

InChI

InChI=1S/C27H28F2N4O3/c28-18-8-9-23(22(29)16-18)33-17-21(19-6-2-3-7-20(19)25(33)35)24(34)31-14-10-27(11-15-31,26(30)36)32-12-4-1-5-13-32/h2-3,6-9,16-17H,1,4-5,10-15H2,(H2,30,36)/p+1