[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl]-ethyl-[(3-fluoranyl-4-methoxy-phenyl)methyl]azanium

Systemtic Name: [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl]-ethyl-[(3-fluoranyl-4-methoxy-phenyl)methyl]azanium Openeye Name: [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxo-ethyl]-ethyl-[(3-fluoro-4-methoxy-phenyl)methyl]ammonium CAS Name: [2-[(2-cyclopentyl-3-pyrazolyl)amino]-2-oxoethyl]-ethyl-[(3-fluoro-4-methoxyphenyl)methyl]ammonium IUPAC Name: [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-ethyl-[(3-fluoro-4-methoxyphenyl)methyl]azanium Traditional Name: [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-keto-ethyl]-ethyl-(3-fluoro-4-methoxy-benzyl)ammonium Formula: C20H28FN4O2+ MolecularWeight: 375.460323

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC(=C(C=C1)OC)F)CC(=O)NC2=CC=NN2C3CCCC3

Isomeric SMILES

CC[NH+](CC1=CC(=C(C=C1)OC)F)CC(=O)NC2=CC=NN2C3CCCC3

InChI

InChI=1S/C20H27FN4O2/c1-3-24(13-15-8-9-18(27-2)17(21)12-15)14-20(26)23-19-10-11-22-25(19)16-6-4-5-7-16/h8-12,16H,3-7,13-14H2,1-2H3,(H,23,26)/p+1