(2R)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(furan-2-ylmethyl)piperidin-1-ium-2-carboxamide

Systemtic Name: (2R)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(furan-2-ylmethyl)piperidin-1-ium-2-carboxamide Openeye Name: (2R)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(2-furylmethyl)piperidin-1-ium-2-carboxamide CAS Name: (2R)-N-[4-(3,5-dimethyl-1-pyrazolyl)phenyl]-1-(2-furanylmethyl)-2-piperidin-1-iumcarboxamide IUPAC Name: (2R)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(furan-2-ylmethyl)piperidin-1-ium-2-carboxamide Traditional Name: (2R)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(2-furfuryl)piperidin-1-ium-2-carboxamide Formula: C22H27N4O2+ MolecularWeight: 379.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)NC(=O)C3CCCC[NH+]3CC4=CC=CO4)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)NC(=O)[C@H]3CCCC[NH+]3CC4=CC=CO4)C

InChI

InChI=1S/C22H26N4O2/c1-16-14-17(2)26(24-16)19-10-8-18(9-11-19)23-22(27)21-7-3-4-12-25(21)15-20-6-5-13-28-20/h5-6,8-11,13-14,21H,3-4,7,12,15H2,1-2H3,(H,23,27)/p+1/t21-/m1/s1