N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-pyrrolidin-1-ium-1-yl-ethanamine

Systemtic Name: N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-pyrrolidin-1-ium-1-yl-ethanamine Openeye Name: N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-pyrrolidin-1-ium-1-yl-ethanamine CAS Name: N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-(1-pyrrolidin-1-iumyl)ethanamine IUPAC Name: N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-pyrrolidin-1-ium-1-ylethanamine Traditional Name: [5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-(2-pyrrolidin-1-ium-1-ylethyl)amine Formula: C16H22FN4+ MolecularWeight: 289.371083

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCNCC2=C(NN=C2)C3=CC=C(C=C3)F

Isomeric SMILES

C1CC[NH+](C1)CCNCC2=C(NN=C2)C3=CC=C(C=C3)F

InChI

InChI=1S/C16H21FN4/c17-15-5-3-13(4-6-15)16-14(12-19-20-16)11-18-7-10-21-8-1-2-9-21/h3-6,12,18H,1-2,7-11H2,(H,19,20)/p+1