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

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl-methyl-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]azanium Openeye Name: [2-(benzylamino)-2-oxo-ethyl]-[(3-fluoro-4-methoxy-phenyl)methyl]-methyl-ammonium CAS Name: (3-fluoro-4-methoxyphenyl)methyl-methyl-[2-oxo-2-[(phenylmethyl)amino]ethyl]ammonium IUPAC Name: [2-(benzylamino)-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium Traditional Name: [2-(benzylamino)-2-keto-ethyl]-(3-fluoro-4-methoxy-benzyl)-methyl-ammonium Formula: C18H22FN2O2+ MolecularWeight: 317.377883

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC(=C(C=C1)OC)F)CC(=O)NCC2=CC=CC=C2

Isomeric SMILES

C[NH+](CC1=CC(=C(C=C1)OC)F)CC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C18H21FN2O2/c1-21(12-15-8-9-17(23-2)16(19)10-15)13-18(22)20-11-14-6-4-3-5-7-14/h3-10H,11-13H2,1-2H3,(H,20,22)/p+1