ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl]-[(4-methyl-2-oxidanyl-5-propan-2-yl-phenyl)methyl]azanium

Systemtic Name: ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl]-[(4-methyl-2-oxidanyl-5-propan-2-yl-phenyl)methyl]azanium Openeye Name: ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl]-[(2-hydroxy-5-isopropyl-4-methyl-phenyl)methyl]ammonium CAS Name: ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-[(2-hydroxy-4-methyl-5-propan-2-ylphenyl)methyl]ammonium IUPAC Name: ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-[(2-hydroxy-4-methyl-5-propan-2-ylphenyl)methyl]azanium Traditional Name: ethyl-[2-[(4-fluorobenzyl)amino]-2-keto-ethyl]-(2-hydroxy-5-isopropyl-4-methyl-benzyl)ammonium Formula: C22H30FN2O2+ MolecularWeight: 373.484203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29FN2O2/c1-5-25(13-18-11-20(15(2)3)16(4)10-21(18)26)14-22(27)24-12-17-6-8-19(23)9-7-17/h6-11,15,26H,5,12-14H2,1-4H3,(H,24,27)/p+1