[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(7-fluoranyl-2-oxidanylidene-1-phenethyl-quinolin-3-yl)methyl]azanium

Systemtic Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(7-fluoranyl-2-oxidanylidene-1-phenethyl-quinolin-3-yl)methyl]azanium Openeye Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(7-fluoro-2-oxo-1-phenethyl-3-quinolyl)methyl]ammonium CAS Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(7-fluoro-2-oxo-1-phenethyl-3-quinolinyl)methyl]ammonium IUPAC Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(7-fluoro-2-oxo-1-phenethylquinolin-3-yl)methyl]azanium Traditional Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(7-fluoro-2-keto-1-phenethyl-3-quinolyl)methyl]ammonium Formula: C27H26FN2O3+ MolecularWeight: 445.505343

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)C[NH2+]CC3=CC4=C(C=C(C=C4)F)N(C3=O)CCC5=CC=CC=C5

Isomeric SMILES

C1[C@@H](OC2=CC=CC=C2O1)C[NH2+]CC3=CC4=C(C=C(C=C4)F)N(C3=O)CCC5=CC=CC=C5

InChI

InChI=1S/C27H25FN2O3/c28-22-11-10-20-14-21(16-29-17-23-18-32-25-8-4-5-9-26(25)33-23)27(31)30(24(20)15-22)13-12-19-6-2-1-3-7-19/h1-11,14-15,23,29H,12-13,16-18H2/p+1/t23-/m0/s1