3-[[5-cyclopropyl-1-[4-(furan-2-yl)pyrimidin-2-yl]pyrazol-4-yl]carbonyl-methyl-amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[5-cyclopropyl-1-[4-(furan-2-yl)pyrimidin-2-yl]pyrazol-4-yl]carbonyl-methyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[[5-cyclopropyl-1-[4-(2-furyl)pyrimidin-2-yl]pyrazole-4-carbonyl]-methyl-amino]propyl-dimethyl-ammonium CAS Name: 3-[[[5-cyclopropyl-1-[4-(2-furanyl)-2-pyrimidinyl]-4-pyrazolyl]-oxomethyl]-methylamino]propyl-dimethylammonium IUPAC Name: 3-[[5-cyclopropyl-1-[4-(furan-2-yl)pyrimidin-2-yl]pyrazole-4-carbonyl]-methylamino]propyl-dimethylazanium Traditional Name: 3-[[5-cyclopropyl-1-[4-(2-furyl)pyrimidin-2-yl]pyrazole-4-carbonyl]-methyl-amino]propyl-dimethyl-ammonium Formula: C21H27N6O2+ MolecularWeight: 395.47808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(C)C(=O)C1=C(N(N=C1)C2=NC=CC(=N2)C3=CC=CO3)C4CC4

Isomeric SMILES

C[NH+](C)CCCN(C)C(=O)C1=C(N(N=C1)C2=NC=CC(=N2)C3=CC=CO3)C4CC4

InChI

InChI=1S/C21H26N6O2/c1-25(2)11-5-12-26(3)20(28)16-14-23-27(19(16)15-7-8-15)21-22-10-9-17(24-21)18-6-4-13-29-18/h4,6,9-10,13-15H,5,7-8,11-12H2,1-3H3/p+1