N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1,3-diphenyl-pyrazole-4-carboxamide

Systemtic Name: N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1,3-diphenyl-pyrazole-4-carboxamide Openeye Name: N-[(2R)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1,3-diphenyl-pyrazole-4-carboxamide CAS Name: N-[(2R)-2-(2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-1,3-diphenyl-4-pyrazolecarboxamide IUPAC Name: N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-1,3-diphenylpyrazole-4-carboxamide Traditional Name: N-[(2R)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1,3-diphenyl-pyrazole-4-carboxamide Formula: C26H27N4O2+ MolecularWeight: 427.51818

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)C2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CO5

Isomeric SMILES

C1CC[NH+](C1)[C@H](CNC(=O)C2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CO5

InChI

InChI=1S/C26H26N4O2/c31-26(27-18-23(24-14-9-17-32-24)29-15-7-8-16-29)22-19-30(21-12-5-2-6-13-21)28-25(22)20-10-3-1-4-11-20/h1-6,9-14,17,19,23H,7-8,15-16,18H2,(H,27,31)/p+1/t23-/m1/s1