[1-oxidanidyl-1-(4-pentoxy-1,3-benzothiazol-2-yl)imidazolidin-1-ium-2-yl] 2,6-bis(bromanyl)hexanoate

Systemtic Name: [1-oxidanidyl-1-(4-pentoxy-1,3-benzothiazol-2-yl)imidazolidin-1-ium-2-yl] 2,6-bis(bromanyl)hexanoate Openeye Name: [1-oxido-1-(4-pentoxy-1,3-benzothiazol-2-yl)imidazolidin-1-ium-2-yl] 2,6-dibromohexanoate CAS Name: 2,6-dibromohexanoic acid [1-oxido-1-(4-pentoxy-1,3-benzothiazol-2-yl)-2-imidazolidin-1-iumyl] ester IUPAC Name: [1-oxido-1-(4-pentoxy-1,3-benzothiazol-2-yl)imidazolidin-1-ium-2-yl] 2,6-dibromohexanoate Traditional Name: 2,6-dibromohexanoic acid [1-(4-amoxy-1,3-benzothiazol-2-yl)-1-oxido-imidazolidin-1-ium-2-yl] ester Formula: C21H29Br2N3O4S MolecularWeight: 579.34566

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C2C(=CC=C1)SC(=N2)[N+]3(CCNC3OC(=O)C(CCCCBr)Br)[O-]

Isomeric SMILES

CCCCCOC1=C2C(=CC=C1)SC(=N2)[N+]3(CCNC3OC(=O)C(CCCCBr)Br)[O-]

InChI

InChI=1S/C21H29Br2N3O4S/c1-2-3-6-14-29-16-9-7-10-17-18(16)25-21(31-17)26(28)13-12-24-20(26)30-19(27)15(23)8-4-5-11-22/h7,9-10,15,20,24H,2-6,8,11-14H2,1H3