1-phenyl-N-[(3R)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-3-pyridin-3-yl-pyrazole-4-carboxamide

Systemtic Name: 1-phenyl-N-[(3R)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-3-pyridin-3-yl-pyrazole-4-carboxamide Openeye Name: N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-1-phenyl-3-(3-pyridyl)pyrazole-4-carboxamide CAS Name: 1-phenyl-N-[(3R)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]-3-(3-pyridinyl)-4-pyrazolecarboxamide IUPAC Name: N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide Traditional Name: N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-1-phenyl-3-(3-pyridyl)pyrazole-4-carboxamide Formula: C26H26N5O+ MolecularWeight: 424.51754

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1NC(=O)C2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1C[NH+](C[C@@H]1NC(=O)C2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C26H25N5O/c32-26(28-22-13-15-30(18-22)17-20-8-3-1-4-9-20)24-19-31(23-11-5-2-6-12-23)29-25(24)21-10-7-14-27-16-21/h1-12,14,16,19,22H,13,15,17-18H2,(H,28,32)/p+1/t22-/m1/s1