[(3S)-1-[1-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]-5-methyl-pyrazol-4-yl]carbonylpyrrolidin-3-yl]-diethyl-azanium

Systemtic Name: [(3S)-1-[1-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]-5-methyl-pyrazol-4-yl]carbonylpyrrolidin-3-yl]-diethyl-azanium Openeye Name: [(3S)-1-[1-[4-(benzofuran-2-yl)pyrimidin-2-yl]-5-methyl-pyrazole-4-carbonyl]pyrrolidin-3-yl]-diethyl-ammonium CAS Name: [(3S)-1-[[1-[4-(2-benzofuranyl)-2-pyrimidinyl]-5-methyl-4-pyrazolyl]-oxomethyl]-3-pyrrolidinyl]-diethylammonium IUPAC Name: [(3S)-1-[1-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]-5-methylpyrazole-4-carbonyl]pyrrolidin-3-yl]-diethylazanium Traditional Name: [(3S)-1-[1-[4-(benzofuran-2-yl)pyrimidin-2-yl]-5-methyl-pyrazole-4-carbonyl]pyrrolidin-3-yl]-diethyl-ammonium Formula: C25H29N6O2+ MolecularWeight: 445.53676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N6O2/c1-4-29(5-2)19-11-13-30(16-19)24(32)20-15-27-31(17(20)3)25-26-12-10-21(28-25)23-14-18-8-6-7-9-22(18)33-23/h6-10,12,14-15,19H,4-5,11,13,16H2,1-3H3/p+1/t19-/m0/s1