2-[[(3S)-1-(4-fluorophenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbamoylamino]ethyl-methyl-(phenylmethyl)azanium

Systemtic Name: 2-[[(3S)-1-(4-fluorophenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbamoylamino]ethyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[2-[[(3S)-1-(4-fluorophenyl)-5-oxo-pyrrolidin-3-yl]carbamoylamino]ethyl]-methyl-ammonium CAS Name: 2-[[[[(3S)-1-(4-fluorophenyl)-5-oxo-3-pyrrolidinyl]amino]-oxomethyl]amino]ethyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]ethyl]-methylazanium Traditional Name: benzyl-[2-[[(3S)-1-(4-fluorophenyl)-5-keto-pyrrolidin-3-yl]carbamoylamino]ethyl]-methyl-ammonium Formula: C21H26FN4O2+ MolecularWeight: 385.455143

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCNC(=O)NC1CC(=O)N(C1)C2=CC=C(C=C2)F)CC3=CC=CC=C3

Isomeric SMILES

C[NH+](CCNC(=O)N[C@H]1CC(=O)N(C1)C2=CC=C(C=C2)F)CC3=CC=CC=C3

InChI

InChI=1S/C21H25FN4O2/c1-25(14-16-5-3-2-4-6-16)12-11-23-21(28)24-18-13-20(27)26(15-18)19-9-7-17(22)8-10-19/h2-10,18H,11-15H2,1H3,(H2,23,24,28)/p+1/t18-/m0/s1