4-[3-[(5-fluoranyl-2-nitro-phenoxy)methyl]-4-methoxy-phenyl]-2-methyl-5-oxidanylidene-N-pyridin-1-ium-2-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxamide

Systemtic Name: 4-[3-[(5-fluoranyl-2-nitro-phenoxy)methyl]-4-methoxy-phenyl]-2-methyl-5-oxidanylidene-N-pyridin-1-ium-2-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxamide Openeye Name: 4-[3-[(5-fluoro-2-nitro-phenoxy)methyl]-4-methoxy-phenyl]-2-methyl-5-oxo-N-pyridin-1-ium-2-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxamide CAS Name: 4-[3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxyphenyl]-2-methyl-5-oxo-N-(2-pyridin-1-iumyl)-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxamide IUPAC Name: 4-[3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxyphenyl]-2-methyl-5-oxo-N-pyridin-1-ium-2-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxamide Traditional Name: 4-[3-[(5-fluoro-2-nitro-phenoxy)methyl]-4-methoxy-phenyl]-5-keto-2-methyl-N-pyridin-1-ium-2-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxamide Formula: C30H28FN4O6+ MolecularWeight: 559.564923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=O)CCC=C2N1)C3=CC(=C(C=C3)OC)COC4=C(C=CC(=C4)F)[N+](=O)[O-])C(=O)NC5=CC=CC=[NH+]5

Isomeric SMILES

CC1=C(C(C2C(=O)CCC=C2N1)C3=CC(=C(C=C3)OC)COC4=C(C=CC(=C4)F)[N+](=O)[O-])C(=O)NC5=CC=CC=[NH+]5

InChI

InChI=1S/C30H27FN4O6/c1-17-27(30(37)34-26-8-3-4-13-32-26)28(29-21(33-17)6-5-7-23(29)36)18-9-12-24(40-2)19(14-18)16-41-25-15-20(31)10-11-22(25)35(38)39/h3-4,6,8-15,28-29,33H,5,7,16H2,1-2H3,(H,32,34,37)/p+1