2-(2-fluoranylphenoxy)ethyl-[(2S)-1-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl]-methyl-azanium

Systemtic Name: 2-(2-fluoranylphenoxy)ethyl-[(2S)-1-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: 2-(2-fluorophenoxy)ethyl-[(1S)-2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: 2-(2-fluorophenoxy)ethyl-[(2S)-1-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]-methylammonium IUPAC Name: 2-(2-fluorophenoxy)ethyl-[(2S)-1-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]-methylazanium Traditional Name: [(1S)-2-(4-carbomethoxy-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-1-methyl-ethyl]-[2-(2-fluorophenoxy)ethyl]-methyl-ammonium Formula: C20H26FN2O4+ MolecularWeight: 377.429843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)[NH+](C)CCOC2=CC=CC=C2F

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)[C@H](C)[NH+](C)CCOC2=CC=CC=C2F

InChI

InChI=1S/C20H25FN2O4/c1-12-17(20(25)26-5)13(2)22-18(12)19(24)14(3)23(4)10-11-27-16-9-7-6-8-15(16)21/h6-9,14,22H,10-11H2,1-5H3/p+1/t14-/m0/s1