N-[3,5-bis(fluoranyl)phenyl]-1-(3,5-dimethoxyphenyl)-N-ethyl-4-oxidanylidene-7-(7-pyridin-1-ium-1-ylheptoxy)quinoline-3-carboxamide

Systemtic Name: N-[3,5-bis(fluoranyl)phenyl]-1-(3,5-dimethoxyphenyl)-N-ethyl-4-oxidanylidene-7-(7-pyridin-1-ium-1-ylheptoxy)quinoline-3-carboxamide Openeye Name: N-(3,5-difluorophenyl)-1-(3,5-dimethoxyphenyl)-N-ethyl-4-oxo-7-(7-pyridin-1-ium-1-ylheptoxy)quinoline-3-carboxamide CAS Name: N-(3,5-difluorophenyl)-1-(3,5-dimethoxyphenyl)-N-ethyl-4-oxo-7-[7-(1-pyridin-1-iumyl)heptoxy]-3-quinolinecarboxamide IUPAC Name: N-(3,5-difluorophenyl)-1-(3,5-dimethoxyphenyl)-N-ethyl-4-oxo-7-(7-pyridin-1-ium-1-ylheptoxy)quinoline-3-carboxamide Traditional Name: N-(3,5-difluorophenyl)-1-(3,5-dimethoxyphenyl)-N-ethyl-4-keto-7-(7-pyridin-1-ium-1-ylheptoxy)quinoline-3-carboxamide Formula: C38H40F2N3O5+ MolecularWeight: 656.738106

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC(=CC(=C1)F)F)C(=O)C2=CN(C3=C(C2=O)C=CC(=C3)OCCCCCCC[N+]4=CC=CC=C4)C5=CC(=CC(=C5)OC)OC

Isomeric SMILES

CCN(C1=CC(=CC(=C1)F)F)C(=O)C2=CN(C3=C(C2=O)C=CC(=C3)OCCCCCCC[N+]4=CC=CC=C4)C5=CC(=CC(=C5)OC)OC

InChI

InChI=1S/C38H40F2N3O5/c1-4-42(29-20-27(39)19-28(40)21-29)38(45)35-26-43(30-22-32(46-2)24-33(23-30)47-3)36-25-31(13-14-34(36)37(35)44)48-18-12-7-5-6-9-15-41-16-10-8-11-17-41/h8,10-11,13-14,16-17,19-26H,4-7,9,12,15,18H2,1-3H3/q+1