(2-acetamido-3-ethoxy-2-ethoxycarbonyl-3-oxidanylidene-propyl)-[(3-fluorophenyl)methyl]-methyl-azanium

Systemtic Name: (2-acetamido-3-ethoxy-2-ethoxycarbonyl-3-oxidanylidene-propyl)-[(3-fluorophenyl)methyl]-methyl-azanium Openeye Name: (2-acetamido-3-ethoxy-2-ethoxycarbonyl-3-oxo-propyl)-[(3-fluorophenyl)methyl]-methyl-ammonium CAS Name: (2-acetamido-3-ethoxy-2-ethoxycarbonyl-3-oxopropyl)-[(3-fluorophenyl)methyl]-methylammonium IUPAC Name: (2-acetamido-3-ethoxy-2-ethoxycarbonyl-3-oxopropyl)-[(3-fluorophenyl)methyl]-methylazanium Traditional Name: (2-acetamido-2-carbethoxy-3-ethoxy-3-keto-propyl)-(3-fluorobenzyl)-methyl-ammonium Formula: C18H26FN2O5+ MolecularWeight: 369.407843

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C[NH+](C)CC1=CC(=CC=C1)F)(C(=O)OCC)NC(=O)C

Isomeric SMILES

CCOC(=O)C(C[NH+](C)CC1=CC(=CC=C1)F)(C(=O)OCC)NC(=O)C

InChI

InChI=1S/C18H25FN2O5/c1-5-25-16(23)18(20-13(3)22,17(24)26-6-2)12-21(4)11-14-8-7-9-15(19)10-14/h7-10H,5-6,11-12H2,1-4H3,(H,20,22)/p+1