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

Systemtic Name: [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl]-[(2-bromophenyl)methyl]-methyl-azanium Openeye Name: [(1R)-2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl]-[(2-bromophenyl)methyl]-methyl-ammonium CAS Name: [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]-[(2-bromophenyl)methyl]-methylammonium IUPAC Name: [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]-[(2-bromophenyl)methyl]-methylazanium Traditional Name: [(1R)-2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl]-(2-bromobenzyl)-methyl-ammonium Formula: C18H20BrN2O3+ MolecularWeight: 392.267

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)[NH+](C)CC3=CC=CC=C3Br

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=C(C=C1)OCO2)[NH+](C)CC3=CC=CC=C3Br

InChI

InChI=1S/C18H19BrN2O3/c1-12(21(2)10-13-5-3-4-6-15(13)19)18(22)20-14-7-8-16-17(9-14)24-11-23-16/h3-9,12H,10-11H2,1-2H3,(H,20,22)/p+1/t12-/m1/s1