(2-bromanyl-4,5-diethoxy-phenyl)methyl-methyl-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]azanium

Systemtic Name: (2-bromanyl-4,5-diethoxy-phenyl)methyl-methyl-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]azanium Openeye Name: (2-bromo-4,5-diethoxy-phenyl)methyl-[2-(isopropylamino)-2-oxo-ethyl]-methyl-ammonium CAS Name: (2-bromo-4,5-diethoxyphenyl)methyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]ammonium IUPAC Name: (2-bromo-4,5-diethoxyphenyl)methyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium Traditional Name: (2-bromo-4,5-diethoxy-benzyl)-[2-(isopropylamino)-2-keto-ethyl]-methyl-ammonium Formula: C17H28BrN2O3+ MolecularWeight: 388.31982

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C[NH+](C)CC(=O)NC(C)C)Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C[NH+](C)CC(=O)NC(C)C)Br)OCC

InChI

InChI=1S/C17H27BrN2O3/c1-6-22-15-8-13(14(18)9-16(15)23-7-2)10-20(5)11-17(21)19-12(3)4/h8-9,12H,6-7,10-11H2,1-5H3,(H,19,21)/p+1