1-[(1-ethylpyrazol-4-yl)methyl]-N-[3-(furan-2-yl)phenyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(1-ethylpyrazol-4-yl)methyl]-N-[3-(furan-2-yl)phenyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(1-ethylpyrazol-4-yl)methyl]-N-[3-(2-furyl)phenyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(1-ethyl-4-pyrazolyl)methyl]-N-[3-(2-furanyl)phenyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(1-ethylpyrazol-4-yl)methyl]-N-[3-(furan-2-yl)phenyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(1-ethylpyrazol-4-yl)methyl]-N-[3-(2-furyl)phenyl]piperidin-1-ium-4-carboxamide Formula: C22H27N4O2+ MolecularWeight: 379.47538

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC(=C3)C4=CC=CO4

Isomeric SMILES

CCN1C=C(C=N1)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC(=C3)C4=CC=CO4

InChI

InChI=1S/C22H26N4O2/c1-2-26-16-17(14-23-26)15-25-10-8-18(9-11-25)22(27)24-20-6-3-5-19(13-20)21-7-4-12-28-21/h3-7,12-14,16,18H,2,8-11,15H2,1H3,(H,24,27)/p+1