(5-bromanyl-2-methoxy-phenyl)methyl-[(2R)-1-[(2,5-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium

Systemtic Name: (5-bromanyl-2-methoxy-phenyl)methyl-[(2R)-1-[(2,5-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: (5-bromo-2-methoxy-phenyl)methyl-[(1R)-2-(2,5-dimethoxyanilino)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: (5-bromo-2-methoxyphenyl)methyl-[(2R)-1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl]-methylammonium IUPAC Name: (5-bromo-2-methoxyphenyl)methyl-[(2R)-1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl]-methylazanium Traditional Name: (5-bromo-2-methoxy-benzyl)-[(1R)-2-(2,5-dimethoxyanilino)-2-keto-1-methyl-ethyl]-methyl-ammonium Formula: C20H26BrN2O4+ MolecularWeight: 438.33544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)OC)OC)[NH+](C)CC2=C(C=CC(=C2)Br)OC

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=CC(=C1)OC)OC)[NH+](C)CC2=C(C=CC(=C2)Br)OC

InChI

InChI=1S/C20H25BrN2O4/c1-13(23(2)12-14-10-15(21)6-8-18(14)26-4)20(24)22-17-11-16(25-3)7-9-19(17)27-5/h6-11,13H,12H2,1-5H3,(H,22,24)/p+1/t13-/m1/s1