(2R)-N-[4-(4-chloranylpyrazol-1-yl)phenyl]-1-(phenylmethyl)pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2R)-N-[4-(4-chloranylpyrazol-1-yl)phenyl]-1-(phenylmethyl)pyrrolidin-1-ium-2-carboxamide Openeye Name: (2R)-1-benzyl-N-[4-(4-chloropyrazol-1-yl)phenyl]pyrrolidin-1-ium-2-carboxamide CAS Name: (2R)-N-[4-(4-chloro-1-pyrazolyl)phenyl]-1-(phenylmethyl)-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2R)-1-benzyl-N-[4-(4-chloropyrazol-1-yl)phenyl]pyrrolidin-1-ium-2-carboxamide Traditional Name: (2R)-1-benzyl-N-[4-(4-chloropyrazol-1-yl)phenyl]pyrrolidin-1-ium-2-carboxamide Formula: C21H22ClN4O+ MolecularWeight: 381.87858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN4O/c22-17-13-23-26(15-17)19-10-8-18(9-11-19)24-21(27)20-7-4-12-25(20)14-16-5-2-1-3-6-16/h1-3,5-6,8-11,13,15,20H,4,7,12,14H2,(H,24,27)/p+1/t20-/m1/s1