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

Systemtic Name: [(3S)-1-[5-cyclopropyl-1-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]pyrazol-4-yl]carbonylpyrrolidin-3-yl]-dimethyl-azanium Openeye Name: [(3S)-1-[5-cyclopropyl-1-[4-(5-methyl-2-furyl)pyrimidin-2-yl]pyrazole-4-carbonyl]pyrrolidin-3-yl]-dimethyl-ammonium CAS Name: [(3S)-1-[[5-cyclopropyl-1-[4-(5-methyl-2-furanyl)-2-pyrimidinyl]-4-pyrazolyl]-oxomethyl]-3-pyrrolidinyl]-dimethylammonium IUPAC Name: [(3S)-1-[5-cyclopropyl-1-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]pyrazole-4-carbonyl]pyrrolidin-3-yl]-dimethylazanium Traditional Name: [(3S)-1-[5-cyclopropyl-1-[4-(5-methyl-2-furyl)pyrimidin-2-yl]pyrazole-4-carbonyl]pyrrolidin-3-yl]-dimethyl-ammonium Formula: C22H27N6O2+ MolecularWeight: 407.48878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=NC(=NC=C2)N3C(=C(C=N3)C(=O)N4CCC(C4)[NH+](C)C)C5CC5

Isomeric SMILES

CC1=CC=C(O1)C2=NC(=NC=C2)N3C(=C(C=N3)C(=O)N4CC[C@@H](C4)[NH+](C)C)C5CC5

InChI

InChI=1S/C22H26N6O2/c1-14-4-7-19(30-14)18-8-10-23-22(25-18)28-20(15-5-6-15)17(12-24-28)21(29)27-11-9-16(13-27)26(2)3/h4,7-8,10,12,15-16H,5-6,9,11,13H2,1-3H3/p+1/t16-/m0/s1