[5-azanyl-4-ethoxycarbonyl-2-(methylcarbamoyl)thiophen-3-yl]methyl-ethyl-[(3-fluoranyl-4-methoxy-phenyl)methyl]azanium

Systemtic Name: [5-azanyl-4-ethoxycarbonyl-2-(methylcarbamoyl)thiophen-3-yl]methyl-ethyl-[(3-fluoranyl-4-methoxy-phenyl)methyl]azanium Openeye Name: [5-amino-4-ethoxycarbonyl-2-(methylcarbamoyl)-3-thienyl]methyl-ethyl-[(3-fluoro-4-methoxy-phenyl)methyl]ammonium CAS Name: [5-amino-4-ethoxycarbonyl-2-(methylcarbamoyl)-3-thiophenyl]methyl-ethyl-[(3-fluoro-4-methoxyphenyl)methyl]ammonium IUPAC Name: [5-amino-4-ethoxycarbonyl-2-(methylcarbamoyl)thiophen-3-yl]methyl-ethyl-[(3-fluoro-4-methoxyphenyl)methyl]azanium Traditional Name: [5-amino-4-carbethoxy-2-(methylcarbamoyl)-3-thienyl]methyl-ethyl-(3-fluoro-4-methoxy-benzyl)ammonium Formula: C20H27FN3O4S+ MolecularWeight: 424.509483

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC(=C(C=C1)OC)F)CC2=C(SC(=C2C(=O)OCC)N)C(=O)NC

Isomeric SMILES

CC[NH+](CC1=CC(=C(C=C1)OC)F)CC2=C(SC(=C2C(=O)OCC)N)C(=O)NC

InChI

InChI=1S/C20H26FN3O4S/c1-5-24(10-12-7-8-15(27-4)14(21)9-12)11-13-16(20(26)28-6-2)18(22)29-17(13)19(25)23-3/h7-9H,5-6,10-11,22H2,1-4H3,(H,23,25)/p+1