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

Systemtic Name: (6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-[2-(tert-butylamino)-2-oxo-ethyl]-methyl-ammonium CAS Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-[2-(tert-butylamino)-2-oxoethyl]-methylammonium IUPAC Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-[2-(tert-butylamino)-2-oxoethyl]-methylazanium Traditional Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-[2-(tert-butylamino)-2-keto-ethyl]-methyl-ammonium Formula: C16H24BrN2O3+ MolecularWeight: 372.27736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23BrN2O3/c1-16(2,3)18-15(20)10-19(4)9-11-7-13-14(8-12(11)17)22-6-5-21-13/h7-8H,5-6,9-10H2,1-4H3,(H,18,20)/p+1