(2-acetamido-3-ethoxy-2-ethoxycarbonyl-3-oxidanylidene-propyl)-cyclopropyl-[(4-fluorophenyl)methyl]azanium

Systemtic Name: (2-acetamido-3-ethoxy-2-ethoxycarbonyl-3-oxidanylidene-propyl)-cyclopropyl-[(4-fluorophenyl)methyl]azanium Openeye Name: (2-acetamido-3-ethoxy-2-ethoxycarbonyl-3-oxo-propyl)-cyclopropyl-[(4-fluorophenyl)methyl]ammonium CAS Name: (2-acetamido-3-ethoxy-2-ethoxycarbonyl-3-oxopropyl)-cyclopropyl-[(4-fluorophenyl)methyl]ammonium IUPAC Name: (2-acetamido-3-ethoxy-2-ethoxycarbonyl-3-oxopropyl)-cyclopropyl-[(4-fluorophenyl)methyl]azanium Traditional Name: (2-acetamido-2-carbethoxy-3-ethoxy-3-keto-propyl)-cyclopropyl-(4-fluorobenzyl)ammonium Formula: C20H28FN2O5+ MolecularWeight: 395.445123

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C[NH+](CC1=CC=C(C=C1)F)C2CC2)(C(=O)OCC)NC(=O)C

Isomeric SMILES

CCOC(=O)C(C[NH+](CC1=CC=C(C=C1)F)C2CC2)(C(=O)OCC)NC(=O)C

InChI

InChI=1S/C20H27FN2O5/c1-4-27-18(25)20(22-14(3)24,19(26)28-5-2)13-23(17-10-11-17)12-15-6-8-16(21)9-7-15/h6-9,17H,4-5,10-13H2,1-3H3,(H,22,24)/p+1