[(3R)-1-[1-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]-5-cyclopropyl-pyrazol-4-yl]carbonylpyrrolidin-3-yl]-dimethyl-azanium

Systemtic Name: [(3R)-1-[1-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]-5-cyclopropyl-pyrazol-4-yl]carbonylpyrrolidin-3-yl]-dimethyl-azanium Openeye Name: [(3R)-1-[1-[4-(benzofuran-2-yl)pyrimidin-2-yl]-5-cyclopropyl-pyrazole-4-carbonyl]pyrrolidin-3-yl]-dimethyl-ammonium CAS Name: [(3R)-1-[[1-[4-(2-benzofuranyl)-2-pyrimidinyl]-5-cyclopropyl-4-pyrazolyl]-oxomethyl]-3-pyrrolidinyl]-dimethylammonium IUPAC Name: [(3R)-1-[1-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]-5-cyclopropylpyrazole-4-carbonyl]pyrrolidin-3-yl]-dimethylazanium Traditional Name: [(3R)-1-[1-[4-(benzofuran-2-yl)pyrimidin-2-yl]-5-cyclopropyl-pyrazole-4-carbonyl]pyrrolidin-3-yl]-dimethyl-ammonium Formula: C25H27N6O2+ MolecularWeight: 443.52088

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C1CCN(C1)C(=O)C2=C(N(N=C2)C3=NC=CC(=N3)C4=CC5=CC=CC=C5O4)C6CC6

Isomeric SMILES

C[NH+](C)[C@@H]1CCN(C1)C(=O)C2=C(N(N=C2)C3=NC=CC(=N3)C4=CC5=CC=CC=C5O4)C6CC6

InChI

InChI=1S/C25H26N6O2/c1-29(2)18-10-12-30(15-18)24(32)19-14-27-31(23(19)16-7-8-16)25-26-11-9-20(28-25)22-13-17-5-3-4-6-21(17)33-22/h3-6,9,11,13-14,16,18H,7-8,10,12,15H2,1-2H3/p+1/t18-/m1/s1