[1-[4-(furan-2-yl)pyrimidin-2-yl]-5-propan-2-yl-pyrazol-4-yl]-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone

Systemtic Name: [1-[4-(furan-2-yl)pyrimidin-2-yl]-5-propan-2-yl-pyrazol-4-yl]-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Openeye Name: [1-[4-(2-furyl)pyrimidin-2-yl]-5-isopropyl-pyrazol-4-yl]-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone CAS Name: [1-[4-(2-furanyl)-2-pyrimidinyl]-5-propan-2-yl-4-pyrazolyl]-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone IUPAC Name: [1-[4-(furan-2-yl)pyrimidin-2-yl]-5-propan-2-ylpyrazol-4-yl]-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Traditional Name: [1-[4-(2-furyl)pyrimidin-2-yl]-5-isopropyl-pyrazol-4-yl]-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Formula: C21H27N6O2+ MolecularWeight: 395.47808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=NN1C2=NC=CC(=N2)C3=CC=CO3)C(=O)N4CCC[NH+](CC4)C

Isomeric SMILES

CC(C)C1=C(C=NN1C2=NC=CC(=N2)C3=CC=CO3)C(=O)N4CCC[NH+](CC4)C

InChI

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