(2R)-1-(furan-2-ylmethyl)-N-(4-pyrazol-1-ylphenyl)piperidin-1-ium-2-carboxamide

Systemtic Name: (2R)-1-(furan-2-ylmethyl)-N-(4-pyrazol-1-ylphenyl)piperidin-1-ium-2-carboxamide Openeye Name: (2R)-1-(2-furylmethyl)-N-(4-pyrazol-1-ylphenyl)piperidin-1-ium-2-carboxamide CAS Name: (2R)-1-(2-furanylmethyl)-N-[4-(1-pyrazolyl)phenyl]-2-piperidin-1-iumcarboxamide IUPAC Name: (2R)-1-(furan-2-ylmethyl)-N-(4-pyrazol-1-ylphenyl)piperidin-1-ium-2-carboxamide Traditional Name: (2R)-1-(2-furfuryl)-N-(4-pyrazol-1-ylphenyl)piperidin-1-ium-2-carboxamide Formula: C20H23N4O2+ MolecularWeight: 351.42222

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C(C1)C(=O)NC2=CC=C(C=C2)N3C=CC=N3)CC4=CC=CO4

Isomeric SMILES

C1CC[NH+]([C@H](C1)C(=O)NC2=CC=C(C=C2)N3C=CC=N3)CC4=CC=CO4

InChI

InChI=1S/C20H22N4O2/c25-20(19-6-1-2-12-23(19)15-18-5-3-14-26-18)22-16-7-9-17(10-8-16)24-13-4-11-21-24/h3-5,7-11,13-14,19H,1-2,6,12,15H2,(H,22,25)/p+1/t19-/m1/s1