4-(4-ethyl-1H-pyrazol-5-yl)-1-[[3-(furan-2-yl)phenyl]methyl]piperidin-1-ium

Systemtic Name: 4-(4-ethyl-1H-pyrazol-5-yl)-1-[[3-(furan-2-yl)phenyl]methyl]piperidin-1-ium Openeye Name: 4-(4-ethyl-1H-pyrazol-5-yl)-1-[[3-(2-furyl)phenyl]methyl]piperidin-1-ium CAS Name: 4-(4-ethyl-1H-pyrazol-5-yl)-1-[[3-(2-furanyl)phenyl]methyl]piperidin-1-ium IUPAC Name: 4-(4-ethyl-1H-pyrazol-5-yl)-1-[[3-(furan-2-yl)phenyl]methyl]piperidin-1-ium Traditional Name: 4-(4-ethyl-1H-pyrazol-5-yl)-1-[3-(2-furyl)benzyl]piperidin-1-ium Formula: C21H26N3O+ MolecularWeight: 336.45064

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NN=C1)C2CC[NH+](CC2)CC3=CC=CC(=C3)C4=CC=CO4

Isomeric SMILES

CCC1=C(NN=C1)C2CC[NH+](CC2)CC3=CC=CC(=C3)C4=CC=CO4

InChI

InChI=1S/C21H25N3O/c1-2-17-14-22-23-21(17)18-8-10-24(11-9-18)15-16-5-3-6-19(13-16)20-7-4-12-25-20/h3-7,12-14,18H,2,8-11,15H2,1H3,(H,22,23)/p+1