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

Systemtic Name: [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl]-[(5-bromanyl-2-methoxy-phenyl)methyl]-methyl-azanium Openeye Name: [(1R)-2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl]-[(5-bromo-2-methoxy-phenyl)methyl]-methyl-ammonium CAS Name: [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]-[(5-bromo-2-methoxyphenyl)methyl]-methylammonium IUPAC Name: [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]-[(5-bromo-2-methoxyphenyl)methyl]-methylazanium Traditional Name: [(1R)-2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl]-(5-bromo-2-methoxy-benzyl)-methyl-ammonium Formula: C19H22BrN2O4+ MolecularWeight: 422.29298

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)[NH+](C)CC3=C(C=CC(=C3)Br)OC

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=C(C=C1)OCO2)[NH+](C)CC3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C19H21BrN2O4/c1-12(22(2)10-13-8-14(20)4-6-16(13)24-3)19(23)21-15-5-7-17-18(9-15)26-11-25-17/h4-9,12H,10-11H2,1-3H3,(H,21,23)/p+1/t12-/m1/s1