2-[ethyl-[1-[4-(furan-2-yl)pyrimidin-2-yl]-5-propan-2-yl-pyrazol-4-yl]carbonyl-amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[ethyl-[1-[4-(furan-2-yl)pyrimidin-2-yl]-5-propan-2-yl-pyrazol-4-yl]carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[ethyl-[1-[4-(2-furyl)pyrimidin-2-yl]-5-isopropyl-pyrazole-4-carbonyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[ethyl-[[1-[4-(2-furanyl)-2-pyrimidinyl]-5-propan-2-yl-4-pyrazolyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[ethyl-[1-[4-(furan-2-yl)pyrimidin-2-yl]-5-propan-2-ylpyrazole-4-carbonyl]amino]ethyl-dimethylazanium Traditional Name: 2-[ethyl-[1-[4-(2-furyl)pyrimidin-2-yl]-5-isopropyl-pyrazole-4-carbonyl]amino]ethyl-dimethyl-ammonium Formula: C21H29N6O2+ MolecularWeight: 397.49396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N6O2/c1-6-26(12-11-25(4)5)20(28)16-14-23-27(19(16)15(2)3)21-22-10-9-17(24-21)18-8-7-13-29-18/h7-10,13-15H,6,11-12H2,1-5H3/p+1