3-(1,3-benzothiazol-2-yl)-N-[3,4-bis(bromanyl)phenyl]-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-amine

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-N-[3,4-bis(bromanyl)phenyl]-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-amine Openeye Name: 3-(1,3-benzothiazol-2-yl)-N-(3,4-dibromophenyl)-1-methyl-3-oxido-imidazolidin-3-ium-4-amine CAS Name: 3-(1,3-benzothiazol-2-yl)-N-(3,4-dibromophenyl)-1-methyl-3-oxido-4-imidazolidin-3-iumamine IUPAC Name: 3-(1,3-benzothiazol-2-yl)-N-(3,4-dibromophenyl)-1-methyl-3-oxidoimidazolidin-3-ium-4-amine Traditional Name: [3-(1,3-benzothiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl]-(3,4-dibromophenyl)amine Formula: C17H16Br2N4OS MolecularWeight: 484.20814

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC([N+](C1)(C2=NC3=CC=CC=C3S2)[O-])NC4=CC(=C(C=C4)Br)Br

Isomeric SMILES

CN1CC([N+](C1)(C2=NC3=CC=CC=C3S2)[O-])NC4=CC(=C(C=C4)Br)Br

InChI

InChI=1S/C17H16Br2N4OS/c1-22-9-16(20-11-6-7-12(18)13(19)8-11)23(24,10-22)17-21-14-4-2-3-5-15(14)25-17/h2-8,16,20H,9-10H2,1H3