1-[(E)-3-(furan-2-yl)prop-2-enyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(E)-3-(furan-2-yl)prop-2-enyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(E)-3-(2-furyl)allyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(E)-3-(2-furanyl)prop-2-enyl]-N-[3-(1H-pyrazol-5-yl)phenyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(E)-3-(furan-2-yl)prop-2-enyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(E)-3-(2-furyl)allyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-4-carboxamide Formula: C22H25N4O2+ MolecularWeight: 377.4595

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=CC(=C2)C3=CC=NN3)CC=CC4=CC=CO4

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=CC(=C2)C3=CC=NN3)C/C=C/C4=CC=CO4

InChI

InChI=1S/C22H24N4O2/c27-22(24-19-5-1-4-18(16-19)21-8-11-23-25-21)17-9-13-26(14-10-17)12-2-6-20-7-3-15-28-20/h1-8,11,15-17H,9-10,12-14H2,(H,23,25)(H,24,27)/p+1/b6-2+