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

Systemtic Name: (2S)-1-[(1-ethylpyrazol-4-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S)-1-[(1-ethylpyrazol-4-yl)methyl]-N-[2-(3-pyridyloxy)phenyl]pyrrolidin-1-ium-2-carboxamide CAS Name: (2S)-1-[(1-ethyl-4-pyrazolyl)methyl]-N-[2-(3-pyridinyloxy)phenyl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S)-1-[(1-ethylpyrazol-4-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S)-1-[(1-ethylpyrazol-4-yl)methyl]-N-[2-(3-pyridyloxy)phenyl]pyrrolidin-1-ium-2-carboxamide Formula: C22H26N5O2+ MolecularWeight: 392.47414

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)C[NH+]2CCCC2C(=O)NC3=CC=CC=C3OC4=CN=CC=C4

Isomeric SMILES

CCN1C=C(C=N1)C[NH+]2CCC[C@H]2C(=O)NC3=CC=CC=C3OC4=CN=CC=C4

InChI

InChI=1S/C22H25N5O2/c1-2-27-16-17(13-24-27)15-26-12-6-9-20(26)22(28)25-19-8-3-4-10-21(19)29-18-7-5-11-23-14-18/h3-5,7-8,10-11,13-14,16,20H,2,6,9,12,15H2,1H3,(H,25,28)/p+1/t20-/m0/s1