2-[(4-bromophenyl)methyl-methyl-azaniumyl]-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]ethanimidate

Systemtic Name: 2-[(4-bromophenyl)methyl-methyl-azaniumyl]-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]ethanimidate Openeye Name: 2-[(4-bromophenyl)methyl-methyl-ammonio]-N-[4-(2,4-dimethoxyphenyl)thiazol-2-yl]ethanimidate CAS Name: 2-[(4-bromophenyl)methyl-methylammonio]-N-[4-(2,4-dimethoxyphenyl)-2-thiazolyl]ethanimidate IUPAC Name: 2-[(4-bromophenyl)methyl-methylazaniumyl]-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]ethanimidate Traditional Name: 2-[(4-bromobenzyl)-methyl-ammonio]-N-[4-(2,4-dimethoxyphenyl)thiazol-2-yl]acetimidate Formula: C21H22BrN3O3S MolecularWeight: 476.38668

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)Br)CC(=NC2=NC(=CS2)C3=C(C=C(C=C3)OC)OC)[O-]

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)Br)CC(=NC2=NC(=CS2)C3=C(C=C(C=C3)OC)OC)[O-]

InChI

InChI=1S/C21H22BrN3O3S/c1-25(11-14-4-6-15(22)7-5-14)12-20(26)24-21-23-18(13-29-21)17-9-8-16(27-2)10-19(17)28-3/h4-10,13H,11-12H2,1-3H3,(H,23,24,26)