3-(6-ethoxy-1,3-benzothiazol-2-yl)-N,N,1-trihexyl-3-oxidanidyl-imidazolidin-3-ium-4-amine

Systemtic Name: 3-(6-ethoxy-1,3-benzothiazol-2-yl)-N,N,1-trihexyl-3-oxidanidyl-imidazolidin-3-ium-4-amine Openeye Name: 3-(6-ethoxy-1,3-benzothiazol-2-yl)-N,N,1-trihexyl-3-oxido-imidazolidin-3-ium-4-amine CAS Name: 3-(6-ethoxy-1,3-benzothiazol-2-yl)-N,N,1-trihexyl-3-oxido-4-imidazolidin-3-iumamine IUPAC Name: 3-(6-ethoxy-1,3-benzothiazol-2-yl)-N,N,1-trihexyl-3-oxidoimidazolidin-3-ium-4-amine Traditional Name: [3-(6-ethoxy-1,3-benzothiazol-2-yl)-1-hexyl-3-oxido-imidazolidin-3-ium-4-yl]-dihexyl-amine Formula: C30H52N4O2S MolecularWeight: 532.82448

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1CC([N+](C1)(C2=NC3=C(S2)C=C(C=C3)OCC)[O-])N(CCCCCC)CCCCCC

Isomeric SMILES

CCCCCCN1CC([N+](C1)(C2=NC3=C(S2)C=C(C=C3)OCC)[O-])N(CCCCCC)CCCCCC

InChI

InChI=1S/C30H52N4O2S/c1-5-9-12-15-20-32-24-29(33(21-16-13-10-6-2)22-17-14-11-7-3)34(35,25-32)30-31-27-19-18-26(36-8-4)23-28(27)37-30/h18-19,23,29H,5-17,20-22,24-25H2,1-4H3