[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl]-ethyl-[(3-fluoranyl-4-methoxy-phenyl)methyl]azanium

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl]-ethyl-[(3-fluoranyl-4-methoxy-phenyl)methyl]azanium Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl]-ethyl-[(3-fluoro-4-methoxy-phenyl)methyl]ammonium CAS Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-ethyl-[(3-fluoro-4-methoxyphenyl)methyl]ammonium IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-ethyl-[(3-fluoro-4-methoxyphenyl)methyl]azanium Traditional Name: [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl]-ethyl-(3-fluoro-4-methoxy-benzyl)ammonium Formula: C18H25FN3O2+ MolecularWeight: 334.408403

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC(=C(C=C1)OC)F)CC(=O)NC2(CCCC2)C#N

Isomeric SMILES

CC[NH+](CC1=CC(=C(C=C1)OC)F)CC(=O)NC2(CCCC2)C#N

InChI

InChI=1S/C18H24FN3O2/c1-3-22(11-14-6-7-16(24-2)15(19)10-14)12-17(23)21-18(13-20)8-4-5-9-18/h6-7,10H,3-5,8-9,11-12H2,1-2H3,(H,21,23)/p+1