cyclopropyl-[(2-fluorophenyl)methyl]-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: cyclopropyl-[(2-fluorophenyl)methyl]-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxidanylidene-ethyl]azanium Openeye Name: cyclopropyl-[(2-fluorophenyl)methyl]-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxo-ethyl]ammonium CAS Name: cyclopropyl-[(2-fluorophenyl)methyl]-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]ammonium IUPAC Name: cyclopropyl-[(2-fluorophenyl)methyl]-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]azanium Traditional Name: [2-[(4-carbomethoxybenzyl)amino]-2-keto-ethyl]-cyclopropyl-(2-fluorobenzyl)ammonium Formula: C21H24FN2O3+ MolecularWeight: 371.425263

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)C[NH+](CC2=CC=CC=C2F)C3CC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)C[NH+](CC2=CC=CC=C2F)C3CC3

InChI

InChI=1S/C21H23FN2O3/c1-27-21(26)16-8-6-15(7-9-16)12-23-20(25)14-24(18-10-11-18)13-17-4-2-3-5-19(17)22/h2-9,18H,10-14H2,1H3,(H,23,25)/p+1