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

Systemtic Name: (2S)-1-[(1-methylpyrazol-4-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S)-1-[(1-methylpyrazol-4-yl)methyl]-N-[2-(3-pyridyloxy)phenyl]pyrrolidin-1-ium-2-carboxamide CAS Name: (2S)-1-[(1-methyl-4-pyrazolyl)methyl]-N-[2-(3-pyridinyloxy)phenyl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S)-1-[(1-methylpyrazol-4-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S)-1-[(1-methylpyrazol-4-yl)methyl]-N-[2-(3-pyridyloxy)phenyl]pyrrolidin-1-ium-2-carboxamide Formula: C21H24N5O2+ MolecularWeight: 378.44756

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C[NH+]2CCCC2C(=O)NC3=CC=CC=C3OC4=CN=CC=C4

Isomeric SMILES

CN1C=C(C=N1)C[NH+]2CCC[C@H]2C(=O)NC3=CC=CC=C3OC4=CN=CC=C4

InChI

InChI=1S/C21H23N5O2/c1-25-14-16(12-23-25)15-26-11-5-8-19(26)21(27)24-18-7-2-3-9-20(18)28-17-6-4-10-22-13-17/h2-4,6-7,9-10,12-14,19H,5,8,11,15H2,1H3,(H,24,27)/p+1/t19-/m0/s1