5-(furan-2-yl)-N-[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]-1H-pyrazole-3-carboxamide

Systemtic Name: 5-(furan-2-yl)-N-[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]-1H-pyrazole-3-carboxamide Openeye Name: 5-(2-furyl)-N-[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]-1H-pyrazole-3-carboxamide CAS Name: 5-(2-furanyl)-N-[4-[2-(1-piperidin-1-iumyl)ethoxy]phenyl]-1H-pyrazole-3-carboxamide IUPAC Name: 5-(furan-2-yl)-N-[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]-1H-pyrazole-3-carboxamide Traditional Name: 5-(2-furyl)-N-[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]-1H-pyrazole-3-carboxamide Formula: C21H25N4O3+ MolecularWeight: 381.4482

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCOC2=CC=C(C=C2)NC(=O)C3=NNC(=C3)C4=CC=CO4

Isomeric SMILES

C1CC[NH+](CC1)CCOC2=CC=C(C=C2)NC(=O)C3=NNC(=C3)C4=CC=CO4

InChI

InChI=1S/C21H24N4O3/c26-21(19-15-18(23-24-19)20-5-4-13-28-20)22-16-6-8-17(9-7-16)27-14-12-25-10-2-1-3-11-25/h4-9,13,15H,1-3,10-12,14H2,(H,22,26)(H,23,24)/p+1