(2S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S)-1-[(1-isopropylpyrazol-4-yl)methyl]-N-[2-(3-pyridyloxy)phenyl]pyrrolidin-1-ium-2-carboxamide CAS Name: (2S)-1-[(1-propan-2-yl-4-pyrazolyl)methyl]-N-[2-(3-pyridinyloxy)phenyl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S)-1-[(1-isopropylpyrazol-4-yl)methyl]-N-[2-(3-pyridyloxy)phenyl]pyrrolidin-1-ium-2-carboxamide Formula: C23H28N5O2+ MolecularWeight: 406.50072

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C=N1)C[NH+]2CCCC2C(=O)NC3=CC=CC=C3OC4=CN=CC=C4

Isomeric SMILES

CC(C)N1C=C(C=N1)C[NH+]2CCC[C@H]2C(=O)NC3=CC=CC=C3OC4=CN=CC=C4

InChI

InChI=1S/C23H27N5O2/c1-17(2)28-16-18(13-25-28)15-27-12-6-9-21(27)23(29)26-20-8-3-4-10-22(20)30-19-7-5-11-24-14-19/h3-5,7-8,10-11,13-14,16-17,21H,6,9,12,15H2,1-2H3,(H,26,29)/p+1/t21-/m0/s1