diethyl-[(3S)-1-[5-methyl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]carbonylpyrrolidin-3-yl]azanium

Systemtic Name: diethyl-[(3S)-1-[5-methyl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]carbonylpyrrolidin-3-yl]azanium Openeye Name: diethyl-[(3S)-1-[5-methyl-1-[4-(2-thienyl)pyrimidin-2-yl]pyrazole-4-carbonyl]pyrrolidin-3-yl]ammonium CAS Name: diethyl-[(3S)-1-[[5-methyl-1-(4-thiophen-2-yl-2-pyrimidinyl)-4-pyrazolyl]-oxomethyl]-3-pyrrolidinyl]ammonium IUPAC Name: diethyl-[(3S)-1-[5-methyl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carbonyl]pyrrolidin-3-yl]azanium Traditional Name: diethyl-[(3S)-1-[5-methyl-1-[4-(2-thienyl)pyrimidin-2-yl]pyrazole-4-carbonyl]pyrrolidin-3-yl]ammonium Formula: C21H27N6OS+ MolecularWeight: 411.54368

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C1CCN(C1)C(=O)C2=C(N(N=C2)C3=NC=CC(=N3)C4=CC=CS4)C

Isomeric SMILES

CC[NH+](CC)[C@H]1CCN(C1)C(=O)C2=C(N(N=C2)C3=NC=CC(=N3)C4=CC=CS4)C

InChI

InChI=1S/C21H26N6OS/c1-4-25(5-2)16-9-11-26(14-16)20(28)17-13-23-27(15(17)3)21-22-10-8-18(24-21)19-7-6-12-29-19/h6-8,10,12-13,16H,4-5,9,11,14H2,1-3H3/p+1/t16-/m0/s1