[(3S)-1-[5-cyclopropyl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]carbonylpyrrolidin-3-yl]-dimethyl-azanium

Systemtic Name: [(3S)-1-[5-cyclopropyl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]carbonylpyrrolidin-3-yl]-dimethyl-azanium Openeye Name: [(3S)-1-[5-cyclopropyl-1-[4-(2-thienyl)pyrimidin-2-yl]pyrazole-4-carbonyl]pyrrolidin-3-yl]-dimethyl-ammonium CAS Name: [(3S)-1-[[5-cyclopropyl-1-(4-thiophen-2-yl-2-pyrimidinyl)-4-pyrazolyl]-oxomethyl]-3-pyrrolidinyl]-dimethylammonium IUPAC Name: [(3S)-1-[5-cyclopropyl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carbonyl]pyrrolidin-3-yl]-dimethylazanium Traditional Name: [(3S)-1-[5-cyclopropyl-1-[4-(2-thienyl)pyrimidin-2-yl]pyrazole-4-carbonyl]pyrrolidin-3-yl]-dimethyl-ammonium Formula: C21H25N6OS+ MolecularWeight: 409.5278

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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=CC=CS4)C5CC5

Isomeric SMILES

C[NH+](C)[C@H]1CCN(C1)C(=O)C2=C(N(N=C2)C3=NC=CC(=N3)C4=CC=CS4)C5CC5

InChI

InChI=1S/C21H24N6OS/c1-25(2)15-8-10-26(13-15)20(28)16-12-23-27(19(16)14-5-6-14)21-22-9-7-17(24-21)18-4-3-11-29-18/h3-4,7,9,11-12,14-15H,5-6,8,10,13H2,1-2H3/p+1/t15-/m0/s1