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

Systemtic Name: diethyl-[2-[[1-[4-(furan-2-yl)pyrimidin-2-yl]-5-propan-2-yl-pyrazol-4-yl]carbonyl-methyl-amino]ethyl]azanium Openeye Name: diethyl-[2-[[1-[4-(2-furyl)pyrimidin-2-yl]-5-isopropyl-pyrazole-4-carbonyl]-methyl-amino]ethyl]ammonium CAS Name: diethyl-[2-[[[1-[4-(2-furanyl)-2-pyrimidinyl]-5-propan-2-yl-4-pyrazolyl]-oxomethyl]-methylamino]ethyl]ammonium IUPAC Name: diethyl-[2-[[1-[4-(furan-2-yl)pyrimidin-2-yl]-5-propan-2-ylpyrazole-4-carbonyl]-methylamino]ethyl]azanium Traditional Name: diethyl-[2-[[1-[4-(2-furyl)pyrimidin-2-yl]-5-isopropyl-pyrazole-4-carbonyl]-methyl-amino]ethyl]ammonium Formula: C22H31N6O2+ MolecularWeight: 411.52054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N6O2/c1-6-27(7-2)13-12-26(5)21(29)17-15-24-28(20(17)16(3)4)22-23-11-10-18(25-22)19-9-8-14-30-19/h8-11,14-16H,6-7,12-13H2,1-5H3/p+1