3-[5-[(3-imidazol-1-ylpropylamino)methyl]furan-2-yl]benzoic acid dihydrochloride

Systemtic Name: 3-[5-[(3-imidazol-1-ylpropylamino)methyl]furan-2-yl]benzoic acid dihydrochloride Openeye Name: 3-[5-[(3-imidazol-1-ylpropylamino)methyl]-2-furyl]benzoic acid dihydrochloride CAS Name: 3-[5-[[3-(1-imidazolyl)propylamino]methyl]-2-furanyl]benzoic acid dihydrochloride IUPAC Name: 3-[5-[(3-imidazol-1-ylpropylamino)methyl]furan-2-yl]benzoic acid dihydrochloride Traditional Name: 3-[5-[(3-imidazol-1-ylpropylamino)methyl]-2-furyl]benzoic acid dihydrochloride Formula: C18H21Cl2N3O3 MolecularWeight: 398.28364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)O)C2=CC=C(O2)CNCCCN3C=CN=C3.Cl.Cl

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)O)C2=CC=C(O2)CNCCCN3C=CN=C3.Cl.Cl

InChI

InChI=1S/C18H19N3O3.2ClH/c22-18(23)15-4-1-3-14(11-15)17-6-5-16(24-17)12-19-7-2-9-21-10-8-20-13-21;;/h1,3-6,8,10-11,13,19H,2,7,9,12H2,(H,22,23);2*1H