N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1-phenyl-pyrazole-4-carboxamide CAS Name: N-[(2S)-2-(2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-1-phenylpyrazole-4-carboxamide Traditional Name: N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1-phenyl-pyrazole-4-carboxamide Formula: C20H23N4O2+ MolecularWeight: 351.42222

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)C2=CN(N=C2)C3=CC=CC=C3)C4=CC=CO4

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)C2=CN(N=C2)C3=CC=CC=C3)C4=CC=CO4

InChI

InChI=1S/C20H22N4O2/c25-20(16-13-22-24(15-16)17-7-2-1-3-8-17)21-14-18(19-9-6-12-26-19)23-10-4-5-11-23/h1-3,6-9,12-13,15,18H,4-5,10-11,14H2,(H,21,25)/p+1/t18-/m0/s1