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

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(2S)-1-[(3-fluoranyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(1S)-2-(3-fluoro-4-methyl-anilino)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(2S)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl]-methylammonium IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(2S)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl]-methylazanium Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(1S)-2-(3-fluoro-4-methyl-anilino)-2-keto-1-methyl-ethyl]-methyl-ammonium Formula: C20H24FN2O3+ MolecularWeight: 359.414563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)[NH+](C)CC2=CC3=C(C=C2)OCCO3)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@H](C)[NH+](C)CC2=CC3=C(C=C2)OCCO3)F

InChI

InChI=1S/C20H23FN2O3/c1-13-4-6-16(11-17(13)21)22-20(24)14(2)23(3)12-15-5-7-18-19(10-15)26-9-8-25-18/h4-7,10-11,14H,8-9,12H2,1-3H3,(H,22,24)/p+1/t14-/m0/s1