(2-azanyl-2-oxidanylidene-ethyl)-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-propan-2-yl-azanium

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl)-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-propan-2-yl-azanium Openeye Name: (2-amino-2-oxo-ethyl)-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-isopropyl-ammonium CAS Name: (2-amino-2-oxoethyl)-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-propan-2-ylammonium IUPAC Name: (2-amino-2-oxoethyl)-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-propan-2-ylazanium Traditional Name: (2-amino-2-keto-ethyl)-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-isopropyl-ammonium Formula: C14H20BrN2O3+ MolecularWeight: 344.2242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CC1=CC2=C(C=C1Br)OCCO2)CC(=O)N

Isomeric SMILES

CC(C)[NH+](CC1=CC2=C(C=C1Br)OCCO2)CC(=O)N

InChI

InChI=1S/C14H19BrN2O3/c1-9(2)17(8-14(16)18)7-10-5-12-13(6-11(10)15)20-4-3-19-12/h5-6,9H,3-4,7-8H2,1-2H3,(H2,16,18)/p+1