N-[5-aminocarbonyl-1-(3-fluorophenyl)-8-methyl-3,8-bis(oxidanyl)nonan-2-yl]-4-oxidanidyl-quinoxalin-4-ium-2-carboxamide

Systemtic Name: N-[5-aminocarbonyl-1-(3-fluorophenyl)-8-methyl-3,8-bis(oxidanyl)nonan-2-yl]-4-oxidanidyl-quinoxalin-4-ium-2-carboxamide Openeye Name: N-[4-carbamoyl-1-[(3-fluorophenyl)methyl]-2,7-dihydroxy-7-methyl-octyl]-4-oxido-quinoxalin-4-ium-2-carboxamide CAS Name: N-[5-carbamoyl-1-(3-fluorophenyl)-3,8-dihydroxy-8-methylnonan-2-yl]-4-oxido-2-quinoxalin-4-iumcarboxamide IUPAC Name: N-[5-carbamoyl-1-(3-fluorophenyl)-3,8-dihydroxy-8-methylnonan-2-yl]-4-oxidoquinoxalin-4-ium-2-carboxamide Traditional Name: N-[4-carbamoyl-1-(3-fluorobenzyl)-2,7-dihydroxy-7-methyl-octyl]-4-oxido-quinoxalin-4-ium-2-carboxamide Formula: C26H31FN4O5 MolecularWeight: 498.546543

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCC(CC(C(CC1=CC(=CC=C1)F)NC(=O)C2=NC3=CC=CC=C3[N+](=C2)[O-])O)C(=O)N)O

Isomeric SMILES

CC(C)(CCC(CC(C(CC1=CC(=CC=C1)F)NC(=O)C2=NC3=CC=CC=C3[N+](=C2)[O-])O)C(=O)N)O

InChI

InChI=1S/C26H31FN4O5/c1-26(2,35)11-10-17(24(28)33)14-23(32)20(13-16-6-5-7-18(27)12-16)30-25(34)21-15-31(36)22-9-4-3-8-19(22)29-21/h3-9,12,15,17,20,23,32,35H,10-11,13-14H2,1-2H3,(H2,28,33)(H,30,34)