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

Systemtic Name: (6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-[2-(ethoxycarbonylamino)-2-oxidanylidene-ethyl]-ethyl-azanium Openeye Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-[2-(ethoxycarbonylamino)-2-oxo-ethyl]-ethyl-ammonium CAS Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylammonium IUPAC Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylazanium Traditional Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-[2-(carbethoxyamino)-2-keto-ethyl]-ethyl-ammonium Formula: C16H22BrN2O5+ MolecularWeight: 402.26028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21BrN2O5/c1-3-19(10-15(20)18-16(21)22-4-2)9-11-7-13-14(8-12(11)17)24-6-5-23-13/h7-8H,3-6,9-10H2,1-2H3,(H,18,20,21)/p+1