[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl-[2-(3-methoxyphenyl)ethyl]azanium

Systemtic Name: [5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl-[2-(3-methoxyphenyl)ethyl]azanium Openeye Name: [5-(benzofuran-2-yl)-1H-pyrazol-4-yl]methyl-[2-(3-methoxyphenyl)ethyl]ammonium CAS Name: [5-(2-benzofuranyl)-1H-pyrazol-4-yl]methyl-[2-(3-methoxyphenyl)ethyl]ammonium IUPAC Name: [5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl-[2-(3-methoxyphenyl)ethyl]azanium Traditional Name: [5-(benzofuran-2-yl)-1H-pyrazol-4-yl]methyl-[2-(3-methoxyphenyl)ethyl]ammonium Formula: C21H22N3O2+ MolecularWeight: 348.41828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CC[NH2+]CC2=C(NN=C2)C3=CC4=CC=CC=C4O3

Isomeric SMILES

COC1=CC=CC(=C1)CC[NH2+]CC2=C(NN=C2)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C21H21N3O2/c1-25-18-7-4-5-15(11-18)9-10-22-13-17-14-23-24-21(17)20-12-16-6-2-3-8-19(16)26-20/h2-8,11-12,14,22H,9-10,13H2,1H3,(H,23,24)/p+1