N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide

Systemtic Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide Openeye Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-5-isopropyl-1-[4-(2-thienyl)pyrimidin-2-yl]pyrazole-4-carboxamide CAS Name: N-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-5-propan-2-yl-1-(4-thiophen-2-yl-2-pyrimidinyl)-4-pyrazolecarboxamide IUPAC Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide Traditional Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-5-isopropyl-1-[4-(2-thienyl)pyrimidin-2-yl]pyrazole-4-carboxamide Formula: C22H29N6OS+ MolecularWeight: 425.57026

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC(=O)C2=C(N(N=C2)C3=NC=CC(=N3)C4=CC=CS4)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H28N6OS/c1-4-27-11-5-7-16(27)13-24-21(29)17-14-25-28(20(17)15(2)3)22-23-10-9-18(26-22)19-8-6-12-30-19/h6,8-10,12,14-16H,4-5,7,11,13H2,1-3H3,(H,24,29)/p+1/t16-/m0/s1