ethyl-[(3-fluoranyl-4-methoxy-phenyl)methyl]-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: ethyl-[(3-fluoranyl-4-methoxy-phenyl)methyl]-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxidanylidene-ethyl]azanium Openeye Name: ethyl-[(3-fluoro-4-methoxy-phenyl)methyl]-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxo-ethyl]ammonium CAS Name: ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]ammonium IUPAC Name: ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]azanium Traditional Name: [2-[(4-carbomethoxybenzyl)amino]-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)NCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H25FN2O4/c1-4-24(13-16-7-10-19(27-2)18(22)11-16)14-20(25)23-12-15-5-8-17(9-6-15)21(26)28-3/h5-11H,4,12-14H2,1-3H3,(H,23,25)/p+1