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

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl-[(2S)-1-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl-[(1S)-2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: (3-fluoro-4-methoxyphenyl)methyl-[(2S)-1-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]-methylammonium IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl-[(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]-(3-fluoro-4-methoxy-benzyl)-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)CC2=CC(=C(C=C2)OC)F

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)[C@H](C)[NH+](C)CC2=CC(=C(C=C2)OC)F

InChI

InChI=1S/C20H25FN2O4/c1-11-17(20(25)27-6)12(2)22-18(11)19(24)13(3)23(4)10-14-7-8-16(26-5)15(21)9-14/h7-9,13,22H,10H2,1-6H3/p+1/t13-/m0/s1