[4-ethoxycarbonyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-yl]methyl-[[(2R)-oxolan-2-yl]methyl]azanium

Systemtic Name: [4-ethoxycarbonyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-yl]methyl-[[(2R)-oxolan-2-yl]methyl]azanium Openeye Name: [4-ethoxycarbonyl-2-(4-phenylthiazol-2-yl)pyrazol-3-yl]methyl-[[(2R)-tetrahydrofuran-2-yl]methyl]ammonium CAS Name: [4-ethoxycarbonyl-2-(4-phenyl-2-thiazolyl)-3-pyrazolyl]methyl-[[(2R)-2-oxolanyl]methyl]ammonium IUPAC Name: [4-ethoxycarbonyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-yl]methyl-[[(2R)-oxolan-2-yl]methyl]azanium Traditional Name: [4-carbethoxy-2-(4-phenylthiazol-2-yl)pyrazol-3-yl]methyl-[[(2R)-tetrahydrofuran-2-yl]methyl]ammonium Formula: C21H25N4O3S+ MolecularWeight: 413.5132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=NC(=CS2)C3=CC=CC=C3)C[NH2+]CC4CCCO4

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=NC(=CS2)C3=CC=CC=C3)C[NH2+]C[C@H]4CCCO4

InChI

InChI=1S/C21H24N4O3S/c1-2-27-20(26)17-12-23-25(19(17)13-22-11-16-9-6-10-28-16)21-24-18(14-29-21)15-7-4-3-5-8-15/h3-5,7-8,12,14,16,22H,2,6,9-11,13H2,1H3/p+1/t16-/m1/s1