ethyl-[(3-fluorophenyl)methyl]-[2-[(2-methyl-6-propan-2-yl-phenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: ethyl-[(3-fluorophenyl)methyl]-[2-[(2-methyl-6-propan-2-yl-phenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: ethyl-[(3-fluorophenyl)methyl]-[2-(2-isopropyl-6-methyl-anilino)-2-oxo-ethyl]ammonium CAS Name: ethyl-[(3-fluorophenyl)methyl]-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]ammonium IUPAC Name: ethyl-[(3-fluorophenyl)methyl]-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]azanium Traditional Name: ethyl-(3-fluorobenzyl)-[2-(2-isopropyl-6-methyl-anilino)-2-keto-ethyl]ammonium Formula: C21H28FN2O+ MolecularWeight: 343.458223

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC(=CC=C1)F)CC(=O)NC2=C(C=CC=C2C(C)C)C

Isomeric SMILES

CC[NH+](CC1=CC(=CC=C1)F)CC(=O)NC2=C(C=CC=C2C(C)C)C

InChI

InChI=1S/C21H27FN2O/c1-5-24(13-17-9-7-10-18(22)12-17)14-20(25)23-21-16(4)8-6-11-19(21)15(2)3/h6-12,15H,5,13-14H2,1-4H3,(H,23,25)/p+1