[5-[1-(4-azanylbutyl)-5-chloranyl-benzimidazol-2-yl]furan-2-yl]phosphonic acid

Systemtic Name: [5-[1-(4-azanylbutyl)-5-chloranyl-benzimidazol-2-yl]furan-2-yl]phosphonic acid Openeye Name: [5-[1-(4-aminobutyl)-5-chloro-benzimidazol-2-yl]-2-furyl]phosphonic acid CAS Name: [5-[1-(4-aminobutyl)-5-chloro-2-benzimidazolyl]-2-furanyl]phosphonic acid IUPAC Name: [5-[1-(4-aminobutyl)-5-chlorobenzimidazol-2-yl]furan-2-yl]phosphonic acid Traditional Name: [5-[1-(4-aminobutyl)-5-chloro-benzimidazol-2-yl]-2-furyl]phosphonic acid Formula: C15H17ClN3O4P MolecularWeight: 369.739941

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Cl)N=C(N2CCCCN)C3=CC=C(O3)P(=O)(O)O

Isomeric SMILES

C1=CC2=C(C=C1Cl)N=C(N2CCCCN)C3=CC=C(O3)P(=O)(O)O

InChI

InChI=1S/C15H17ClN3O4P/c16-10-3-4-12-11(9-10)18-15(19(12)8-2-1-7-17)13-5-6-14(23-13)24(20,21)22/h3-6,9H,1-2,7-8,17H2,(H2,20,21,22)