[5-[4-azanyl-5-fluoranyl-1-(2-methylpropyl)-7-propyl-benzimidazol-1-ium-1-yl]furan-2-yl]phosphonic acid

Systemtic Name: [5-[4-azanyl-5-fluoranyl-1-(2-methylpropyl)-7-propyl-benzimidazol-1-ium-1-yl]furan-2-yl]phosphonic acid Openeye Name: [5-(4-amino-5-fluoro-1-isobutyl-7-propyl-benzimidazol-1-ium-1-yl)-2-furyl]phosphonic acid CAS Name: [5-[4-amino-5-fluoro-1-(2-methylpropyl)-7-propyl-1-benzimidazol-1-iumyl]-2-furanyl]phosphonic acid IUPAC Name: [5-[4-amino-5-fluoro-1-(2-methylpropyl)-7-propylbenzimidazol-1-ium-1-yl]furan-2-yl]phosphonic acid Traditional Name: [5-(4-amino-5-fluoro-1-isobutyl-7-propyl-benzimidazol-1-ium-1-yl)-2-furyl]phosphonic acid Formula: C18H24FN3O4P+ MolecularWeight: 396.373024

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C2=C1[N+](C=N2)(CC(C)C)C3=CC=C(O3)P(=O)(O)O)N)F

Isomeric SMILES

CCCC1=CC(=C(C2=C1[N+](C=N2)(CC(C)C)C3=CC=C(O3)P(=O)(O)O)N)F

InChI

InChI=1S/C18H23FN3O4P/c1-4-5-12-8-13(19)16(20)17-18(12)22(10-21-17,9-11(2)3)14-6-7-15(26-14)27(23,24)25/h6-8,10-11H,4-5,9,20H2,1-3H3,(H-,23,24,25)/p+1