[3-bromanyl-4-[2-(tert-butylamino)-2-oxidanylidene-ethoxy]-5-methoxy-phenyl]methyl-[(1R)-1-phenylethyl]azanium

Systemtic Name: [3-bromanyl-4-[2-(tert-butylamino)-2-oxidanylidene-ethoxy]-5-methoxy-phenyl]methyl-[(1R)-1-phenylethyl]azanium Openeye Name: [3-bromo-4-[2-(tert-butylamino)-2-oxo-ethoxy]-5-methoxy-phenyl]methyl-[(1R)-1-phenylethyl]ammonium CAS Name: [3-bromo-4-[2-(tert-butylamino)-2-oxoethoxy]-5-methoxyphenyl]methyl-[(1R)-1-phenylethyl]ammonium IUPAC Name: [3-bromo-4-[2-(tert-butylamino)-2-oxoethoxy]-5-methoxyphenyl]methyl-[(1R)-1-phenylethyl]azanium Traditional Name: [3-bromo-4-[2-(tert-butylamino)-2-keto-ethoxy]-5-methoxy-benzyl]-[(1R)-1-phenylethyl]ammonium Formula: C22H30BrN2O3+ MolecularWeight: 450.3892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)[NH2+]CC2=CC(=C(C(=C2)Br)OCC(=O)NC(C)(C)C)OC

Isomeric SMILES

C[C@H](C1=CC=CC=C1)[NH2+]CC2=CC(=C(C(=C2)Br)OCC(=O)NC(C)(C)C)OC

InChI

InChI=1S/C22H29BrN2O3/c1-15(17-9-7-6-8-10-17)24-13-16-11-18(23)21(19(12-16)27-5)28-14-20(26)25-22(2,3)4/h6-12,15,24H,13-14H2,1-5H3,(H,25,26)/p+1/t15-/m1/s1