(4-bromanyl-2,5-dimethoxy-phenyl)methyl-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: (4-bromanyl-2,5-dimethoxy-phenyl)methyl-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (4-bromo-2,5-dimethoxy-phenyl)methyl-[2-(tert-butylamino)-2-oxo-ethyl]-methyl-ammonium CAS Name: (4-bromo-2,5-dimethoxyphenyl)methyl-[2-(tert-butylamino)-2-oxoethyl]-methylammonium IUPAC Name: (4-bromo-2,5-dimethoxyphenyl)methyl-[2-(tert-butylamino)-2-oxoethyl]-methylazanium Traditional Name: (4-bromo-2,5-dimethoxy-benzyl)-[2-(tert-butylamino)-2-keto-ethyl]-methyl-ammonium Formula: C16H26BrN2O3+ MolecularWeight: 374.29324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+](C)CC1=CC(=C(C=C1OC)Br)OC

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+](C)CC1=CC(=C(C=C1OC)Br)OC

InChI

InChI=1S/C16H25BrN2O3/c1-16(2,3)18-15(20)10-19(4)9-11-7-14(22-6)12(17)8-13(11)21-5/h7-8H,9-10H2,1-6H3,(H,18,20)/p+1