2-(furan-2-yl)ethyl-[[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]methyl]azanium

Systemtic Name: 2-(furan-2-yl)ethyl-[[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]methyl]azanium Openeye Name: [1-benzyl-3-(2-thienyl)pyrazol-4-yl]methyl-[2-(2-furyl)ethyl]ammonium CAS Name: 2-(2-furanyl)ethyl-[[1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolyl]methyl]ammonium IUPAC Name: (1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methyl-[2-(furan-2-yl)ethyl]azanium Traditional Name: [1-benzyl-3-(2-thienyl)pyrazol-4-yl]methyl-[2-(2-furyl)ethyl]ammonium Formula: C21H22N3OS+ MolecularWeight: 364.48388

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=CS3)C[NH2+]CCC4=CC=CO4

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=CS3)C[NH2+]CCC4=CC=CO4

InChI

InChI=1S/C21H21N3OS/c1-2-6-17(7-3-1)15-24-16-18(21(23-24)20-9-5-13-26-20)14-22-11-10-19-8-4-12-25-19/h1-9,12-13,16,22H,10-11,14-15H2/p+1