[4-[2-(tert-butylamino)-2-oxidanylidene-ethoxy]-3-chloranyl-5-methoxy-phenyl]methyl-[2-(4-fluorophenyl)ethyl]azanium

Systemtic Name: [4-[2-(tert-butylamino)-2-oxidanylidene-ethoxy]-3-chloranyl-5-methoxy-phenyl]methyl-[2-(4-fluorophenyl)ethyl]azanium Openeye Name: [4-[2-(tert-butylamino)-2-oxo-ethoxy]-3-chloro-5-methoxy-phenyl]methyl-[2-(4-fluorophenyl)ethyl]ammonium CAS Name: [4-[2-(tert-butylamino)-2-oxoethoxy]-3-chloro-5-methoxyphenyl]methyl-[2-(4-fluorophenyl)ethyl]ammonium IUPAC Name: [4-[2-(tert-butylamino)-2-oxoethoxy]-3-chloro-5-methoxyphenyl]methyl-[2-(4-fluorophenyl)ethyl]azanium Traditional Name: [4-[2-(tert-butylamino)-2-keto-ethoxy]-3-chloro-5-methoxy-benzyl]-[2-(4-fluorophenyl)ethyl]ammonium Formula: C22H29ClFN2O3+ MolecularWeight: 423.928663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)COC1=C(C=C(C=C1Cl)C[NH2+]CCC2=CC=C(C=C2)F)OC

Isomeric SMILES

CC(C)(C)NC(=O)COC1=C(C=C(C=C1Cl)C[NH2+]CCC2=CC=C(C=C2)F)OC

InChI

InChI=1S/C22H28ClFN2O3/c1-22(2,3)26-20(27)14-29-21-18(23)11-16(12-19(21)28-4)13-25-10-9-15-5-7-17(24)8-6-15/h5-8,11-12,25H,9-10,13-14H2,1-4H3,(H,26,27)/p+1