[3-(5-bromanyl-1,3-thiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] 4-(3,4-dimethylthiophen-2-yl)butanoate

Systemtic Name: [3-(5-bromanyl-1,3-thiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] 4-(3,4-dimethylthiophen-2-yl)butanoate Openeye Name: [3-(5-bromothiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] 4-(3,4-dimethyl-2-thienyl)butanoate CAS Name: 4-(3,4-dimethyl-2-thiophenyl)butanoic acid [3-(5-bromo-2-thiazolyl)-1-methyl-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-(5-bromo-1,3-thiazol-2-yl)-1-methyl-3-oxidoimidazolidin-3-ium-4-yl] 4-(3,4-dimethylthiophen-2-yl)butanoate Traditional Name: 4-(3,4-dimethyl-2-thienyl)butyric acid [3-(5-bromothiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C17H22BrN3O3S2 MolecularWeight: 460.40888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1C)CCCC(=O)OC2CN(C[N+]2(C3=NC=C(S3)Br)[O-])C

Isomeric SMILES

CC1=CSC(=C1C)CCCC(=O)OC2CN(C[N+]2(C3=NC=C(S3)Br)[O-])C

InChI

InChI=1S/C17H22BrN3O3S2/c1-11-9-25-13(12(11)2)5-4-6-16(22)24-15-8-20(3)10-21(15,23)17-19-7-14(18)26-17/h7,9,15H,4-6,8,10H2,1-3H3