[3-bromanyl-4-[2-(tert-butylamino)-2-oxidanylidene-ethoxy]-5-methoxy-phenyl]methyl-(phenylmethyl)azanium

Systemtic Name: [3-bromanyl-4-[2-(tert-butylamino)-2-oxidanylidene-ethoxy]-5-methoxy-phenyl]methyl-(phenylmethyl)azanium Openeye Name: benzyl-[[3-bromo-4-[2-(tert-butylamino)-2-oxo-ethoxy]-5-methoxy-phenyl]methyl]ammonium CAS Name: [3-bromo-4-[2-(tert-butylamino)-2-oxoethoxy]-5-methoxyphenyl]methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[3-bromo-4-[2-(tert-butylamino)-2-oxoethoxy]-5-methoxyphenyl]methyl]azanium Traditional Name: benzyl-[3-bromo-4-[2-(tert-butylamino)-2-keto-ethoxy]-5-methoxy-benzyl]ammonium Formula: C21H28BrN2O3+ MolecularWeight: 436.36262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)COC1=C(C=C(C=C1Br)C[NH2+]CC2=CC=CC=C2)OC

Isomeric SMILES

CC(C)(C)NC(=O)COC1=C(C=C(C=C1Br)C[NH2+]CC2=CC=CC=C2)OC

InChI

InChI=1S/C21H27BrN2O3/c1-21(2,3)24-19(25)14-27-20-17(22)10-16(11-18(20)26-4)13-23-12-15-8-6-5-7-9-15/h5-11,23H,12-14H2,1-4H3,(H,24,25)/p+1