[5-(3-chlorophenyl)furan-2-yl]methyl-(3-imidazol-1-ylpropyl)azanium

Systemtic Name: [5-(3-chlorophenyl)furan-2-yl]methyl-(3-imidazol-1-ylpropyl)azanium Openeye Name: [5-(3-chlorophenyl)-2-furyl]methyl-(3-imidazol-1-ylpropyl)ammonium CAS Name: [5-(3-chlorophenyl)-2-furanyl]methyl-[3-(1-imidazolyl)propyl]ammonium IUPAC Name: [5-(3-chlorophenyl)furan-2-yl]methyl-(3-imidazol-1-ylpropyl)azanium Traditional Name: [5-(3-chlorophenyl)-2-furyl]methyl-(3-imidazol-1-ylpropyl)ammonium Formula: C17H19ClN3O+ MolecularWeight: 316.80526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)C2=CC=C(O2)C[NH2+]CCCN3C=CN=C3

Isomeric SMILES

C1=CC(=CC(=C1)Cl)C2=CC=C(O2)C[NH2+]CCCN3C=CN=C3

InChI

InChI=1S/C17H18ClN3O/c18-15-4-1-3-14(11-15)17-6-5-16(22-17)12-19-7-2-9-21-10-8-20-13-21/h1,3-6,8,10-11,13,19H,2,7,9,12H2/p+1