(6-bromanyl-1,3-benzodioxol-5-yl)methyl-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: (6-bromanyl-1,3-benzodioxol-5-yl)methyl-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (6-bromo-1,3-benzodioxol-5-yl)methyl-[2-(tert-butylamino)-2-oxo-ethyl]-methyl-ammonium CAS Name: (6-bromo-1,3-benzodioxol-5-yl)methyl-[2-(tert-butylamino)-2-oxoethyl]-methylammonium IUPAC Name: (6-bromo-1,3-benzodioxol-5-yl)methyl-[2-(tert-butylamino)-2-oxoethyl]-methylazanium Traditional Name: (6-bromo-1,3-benzodioxol-5-yl)methyl-[2-(tert-butylamino)-2-keto-ethyl]-methyl-ammonium Formula: C15H22BrN2O3+ MolecularWeight: 358.25078

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+](C)CC1=CC2=C(C=C1Br)OCO2

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+](C)CC1=CC2=C(C=C1Br)OCO2

InChI

InChI=1S/C15H21BrN2O3/c1-15(2,3)17-14(19)8-18(4)7-10-5-12-13(6-11(10)16)21-9-20-12/h5-6H,7-9H2,1-4H3,(H,17,19)/p+1