(2R)-1-(phenylmethyl)-N-(3-pyrazol-1-ylphenyl)pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2R)-1-(phenylmethyl)-N-(3-pyrazol-1-ylphenyl)pyrrolidin-1-ium-2-carboxamide Openeye Name: (2R)-1-benzyl-N-(3-pyrazol-1-ylphenyl)pyrrolidin-1-ium-2-carboxamide CAS Name: (2R)-1-(phenylmethyl)-N-[3-(1-pyrazolyl)phenyl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2R)-1-benzyl-N-(3-pyrazol-1-ylphenyl)pyrrolidin-1-ium-2-carboxamide Traditional Name: (2R)-1-benzyl-N-(3-pyrazol-1-ylphenyl)pyrrolidin-1-ium-2-carboxamide Formula: C21H23N4O+ MolecularWeight: 347.43352

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC2=CC=CC=C2)C(=O)NC3=CC=CC(=C3)N4C=CC=N4

Isomeric SMILES

C1C[C@@H]([NH+](C1)CC2=CC=CC=C2)C(=O)NC3=CC=CC(=C3)N4C=CC=N4

InChI

InChI=1S/C21H22N4O/c26-21(20-11-5-13-24(20)16-17-7-2-1-3-8-17)23-18-9-4-10-19(15-18)25-14-6-12-22-25/h1-4,6-10,12,14-15,20H,5,11,13,16H2,(H,23,26)/p+1/t20-/m1/s1