(2R)-1-(phenylmethyl)-N-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2R)-1-(phenylmethyl)-N-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-1-ium-2-carboxamide Openeye Name: (2R)-1-benzyl-N-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-1-ium-2-carboxamide CAS Name: (2R)-1-(phenylmethyl)-N-(5-phenyl-1H-pyrazol-3-yl)-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2R)-1-benzyl-N-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-1-ium-2-carboxamide Traditional Name: (2R)-1-benzyl-N-(5-phenyl-1H-pyrazol-3-yl)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=NNC(=C3)C4=CC=CC=C4

Isomeric SMILES

C1C[C@@H]([NH+](C1)CC2=CC=CC=C2)C(=O)NC3=NNC(=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H22N4O/c26-21(19-12-7-13-25(19)15-16-8-3-1-4-9-16)22-20-14-18(23-24-20)17-10-5-2-6-11-17/h1-6,8-11,14,19H,7,12-13,15H2,(H2,22,23,24,26)/p+1/t19-/m1/s1