2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(1S)-2-[(4-fluorophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]-methyl-azanium

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(1S)-2-[(4-fluorophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]-methyl-azanium Openeye Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenyl-ethyl]-methyl-ammonium CAS Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-methylammonium IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-methylazanium Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(1S)-2-(4-fluoroanilino)-2-keto-1-phenyl-ethyl]-methyl-ammonium Formula: C24H24FN2O3+ MolecularWeight: 407.457363

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=C(C=C1)OCCO2)C(C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)F

Isomeric SMILES

C[NH+](CC1=CC2=C(C=C1)OCCO2)[C@@H](C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)F

InChI

InChI=1S/C24H23FN2O3/c1-27(16-17-7-12-21-22(15-17)30-14-13-29-21)23(18-5-3-2-4-6-18)24(28)26-20-10-8-19(25)9-11-20/h2-12,15,23H,13-14,16H2,1H3,(H,26,28)/p+1/t23-/m0/s1