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

Systemtic Name: N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1-phenyl-pyrazole-4-carboxamide CAS Name: N-[(2R)-2-(2-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-1-phenylpyrazole-4-carboxamide Traditional Name: N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1-phenyl-pyrazole-4-carboxamide Formula: C23H27N4O2+ MolecularWeight: 391.48608

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(CNC(=O)C2=CN(N=C2)C3=CC=CC=C3)[NH+]4CCCC4

Isomeric SMILES

COC1=CC=CC=C1[C@H](CNC(=O)C2=CN(N=C2)C3=CC=CC=C3)[NH+]4CCCC4

InChI

InChI=1S/C23H26N4O2/c1-29-22-12-6-5-11-20(22)21(26-13-7-8-14-26)16-24-23(28)18-15-25-27(17-18)19-9-3-2-4-10-19/h2-6,9-12,15,17,21H,7-8,13-14,16H2,1H3,(H,24,28)/p+1/t21-/m0/s1