[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl-(2-thiophen-2-ylethyl)azanium

Systemtic Name: [5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl-(2-thiophen-2-ylethyl)azanium Openeye Name: [5-(benzofuran-2-yl)-1H-pyrazol-4-yl]methyl-[2-(2-thienyl)ethyl]ammonium CAS Name: [5-(2-benzofuranyl)-1H-pyrazol-4-yl]methyl-(2-thiophen-2-ylethyl)ammonium IUPAC Name: [5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl-(2-thiophen-2-ylethyl)azanium Traditional Name: [5-(benzofuran-2-yl)-1H-pyrazol-4-yl]methyl-[2-(2-thienyl)ethyl]ammonium Formula: C18H18N3OS+ MolecularWeight: 324.42002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(O2)C3=C(C=NN3)C[NH2+]CCC4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)C=C(O2)C3=C(C=NN3)C[NH2+]CCC4=CC=CS4

InChI

InChI=1S/C18H17N3OS/c1-2-6-16-13(4-1)10-17(22-16)18-14(12-20-21-18)11-19-8-7-15-5-3-9-23-15/h1-6,9-10,12,19H,7-8,11H2,(H,20,21)/p+1