(4-cyano-2-fluoranyl-phenyl)methyl-(phenylmethyl)-propan-2-yl-azanium

Systemtic Name: (4-cyano-2-fluoranyl-phenyl)methyl-(phenylmethyl)-propan-2-yl-azanium Openeye Name: benzyl-[(4-cyano-2-fluoro-phenyl)methyl]-isopropyl-ammonium CAS Name: (4-cyano-2-fluorophenyl)methyl-(phenylmethyl)-propan-2-ylammonium IUPAC Name: benzyl-[(4-cyano-2-fluorophenyl)methyl]-propan-2-ylazanium Traditional Name: benzyl-(4-cyano-2-fluoro-benzyl)-isopropyl-ammonium Formula: C18H20FN2+ MolecularWeight: 283.363203

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CC1=CC=CC=C1)CC2=C(C=C(C=C2)C#N)F

Isomeric SMILES

CC(C)[NH+](CC1=CC=CC=C1)CC2=C(C=C(C=C2)C#N)F

InChI

InChI=1S/C18H19FN2/c1-14(2)21(12-15-6-4-3-5-7-15)13-17-9-8-16(11-20)10-18(17)19/h3-10,14H,12-13H2,1-2H3/p+1