3-(3-bromanyl-5-chloranyl-pentyl)-4-methyl-oxetan-2-one; 5-hexoxy-2-(1-oxidanidylimidazolidin-1-ium-1-yl)-1,3-benzothiazole

Systemtic Name: 3-(3-bromanyl-5-chloranyl-pentyl)-4-methyl-oxetan-2-one; 5-hexoxy-2-(1-oxidanidylimidazolidin-1-ium-1-yl)-1,3-benzothiazole Openeye Name: 3-(3-bromo-5-chloro-pentyl)-4-methyl-oxetan-2-one; 5-hexoxy-2-(1-oxidoimidazolidin-1-ium-1-yl)-1,3-benzothiazole CAS Name: 3-(3-bromo-5-chloropentyl)-4-methyl-2-oxetanone; 5-hexoxy-2-(1-oxido-1-imidazolidin-1-iumyl)-1,3-benzothiazole IUPAC Name: 3-(3-bromo-5-chloropentyl)-4-methyloxetan-2-one; 5-hexoxy-2-(1-oxidoimidazolidin-1-ium-1-yl)-1,3-benzothiazole Traditional Name: 3-(3-bromo-5-chloro-pentyl)-4-methyl-oxetan-2-one; 5-hexoxy-2-(1-oxidoimidazolidin-1-ium-1-yl)-1,3-benzothiazole Formula: C25H37BrClN3O4S MolecularWeight: 591.00098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC2=C(C=C1)SC(=N2)[N+]3(CCNC3)[O-].CC1C(C(=O)O1)CCC(CCCl)Br

Isomeric SMILES

CCCCCCOC1=CC2=C(C=C1)SC(=N2)[N+]3(CCNC3)[O-].CC1C(C(=O)O1)CCC(CCCl)Br

InChI

InChI=1S/C16H23N3O2S.C9H14BrClO2/c1-2-3-4-5-10-21-13-6-7-15-14(11-13)18-16(22-15)19(20)9-8-17-12-19;1-6-8(9(12)13-6)3-2-7(10)4-5-11/h6-7,11,17H,2-5,8-10,12H2,1H3;6-8H,2-5H2,1H3