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

Systemtic Name: [2-[(4-tert-butylphenyl)amino]-2-oxidanylidene-ethyl]-[(3-fluoranyl-4-methoxy-phenyl)methyl]-methyl-azanium Openeye Name: [2-(4-tert-butylanilino)-2-oxo-ethyl]-[(3-fluoro-4-methoxy-phenyl)methyl]-methyl-ammonium CAS Name: [2-(4-tert-butylanilino)-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylammonium IUPAC Name: [2-(4-tert-butylanilino)-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium Traditional Name: [2-(4-tert-butylanilino)-2-keto-ethyl]-(3-fluoro-4-methoxy-benzyl)-methyl-ammonium Formula: C21H28FN2O2+ MolecularWeight: 359.457623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=O)C[NH+](C)CC2=CC(=C(C=C2)OC)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=O)C[NH+](C)CC2=CC(=C(C=C2)OC)F

InChI

InChI=1S/C21H27FN2O2/c1-21(2,3)16-7-9-17(10-8-16)23-20(25)14-24(4)13-15-6-11-19(26-5)18(22)12-15/h6-12H,13-14H2,1-5H3,(H,23,25)/p+1