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

Systemtic Name: [2-[(2-ethoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]-ethyl-[(3-fluoranyl-4-methoxy-phenyl)methyl]azanium Openeye Name: [2-(2-ethoxycarbonylanilino)-2-oxo-ethyl]-ethyl-[(3-fluoro-4-methoxy-phenyl)methyl]ammonium CAS Name: [2-(2-ethoxycarbonylanilino)-2-oxoethyl]-ethyl-[(3-fluoro-4-methoxyphenyl)methyl]ammonium IUPAC Name: [2-(2-ethoxycarbonylanilino)-2-oxoethyl]-ethyl-[(3-fluoro-4-methoxyphenyl)methyl]azanium Traditional Name: [2-(2-carbethoxyanilino)-2-keto-ethyl]-ethyl-(3-fluoro-4-methoxy-benzyl)ammonium Formula: C21H26FN2O4+ MolecularWeight: 389.440543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25FN2O4/c1-4-24(13-15-10-11-19(27-3)17(22)12-15)14-20(25)23-18-9-7-6-8-16(18)21(26)28-5-2/h6-12H,4-5,13-14H2,1-3H3,(H,23,25)/p+1