(5-bromanyl-2-methoxy-phenyl)methyl-[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxidanylidene-propan-2-yl]-methyl-azanium

Systemtic Name: (5-bromanyl-2-methoxy-phenyl)methyl-[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: (5-bromo-2-methoxy-phenyl)methyl-[(1R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: (5-bromo-2-methoxyphenyl)methyl-[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl]-methylammonium IUPAC Name: (5-bromo-2-methoxyphenyl)methyl-[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl]-methylazanium Traditional Name: (5-bromo-2-methoxy-benzyl)-[(1R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-1-methyl-ethyl]-methyl-ammonium Formula: C20H24BrN2O4+ MolecularWeight: 436.31956

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCCO2)[NH+](C)CC3=C(C=CC(=C3)Br)OC

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=C(C=C1)OCCO2)[NH+](C)CC3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C20H23BrN2O4/c1-13(23(2)12-14-10-15(21)4-6-17(14)25-3)20(24)22-16-5-7-18-19(11-16)27-9-8-26-18/h4-7,10-11,13H,8-9,12H2,1-3H3,(H,22,24)/p+1/t13-/m1/s1