[3-(1-benzofuran-2-yl)-1-(phenylmethyl)pyrazol-4-yl]methyl-(3-pyrazol-1-ylpropyl)azanium

Systemtic Name: [3-(1-benzofuran-2-yl)-1-(phenylmethyl)pyrazol-4-yl]methyl-(3-pyrazol-1-ylpropyl)azanium Openeye Name: [3-(benzofuran-2-yl)-1-benzyl-pyrazol-4-yl]methyl-(3-pyrazol-1-ylpropyl)ammonium CAS Name: [3-(2-benzofuranyl)-1-(phenylmethyl)-4-pyrazolyl]methyl-[3-(1-pyrazolyl)propyl]ammonium IUPAC Name: [3-(1-benzofuran-2-yl)-1-benzylpyrazol-4-yl]methyl-(3-pyrazol-1-ylpropyl)azanium Traditional Name: [3-(benzofuran-2-yl)-1-benzyl-pyrazol-4-yl]methyl-(3-pyrazol-1-ylpropyl)ammonium Formula: C25H26N5O+ MolecularWeight: 412.50684

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC4=CC=CC=C4O3)C[NH2+]CCCN5C=CC=N5

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC4=CC=CC=C4O3)C[NH2+]CCCN5C=CC=N5

InChI

InChI=1S/C25H25N5O/c1-2-8-20(9-3-1)18-30-19-22(17-26-12-6-14-29-15-7-13-27-29)25(28-30)24-16-21-10-4-5-11-23(21)31-24/h1-5,7-11,13,15-16,19,26H,6,12,14,17-18H2/p+1