N,N-dibutyl-3-(5-hexyl-1,3-benzothiazol-2-yl)-3-oxidanidyl-1-pentyl-imidazolidin-3-ium-4-amine

Systemtic Name: N,N-dibutyl-3-(5-hexyl-1,3-benzothiazol-2-yl)-3-oxidanidyl-1-pentyl-imidazolidin-3-ium-4-amine Openeye Name: N,N-dibutyl-3-(5-hexyl-1,3-benzothiazol-2-yl)-3-oxido-1-pentyl-imidazolidin-3-ium-4-amine CAS Name: N,N-dibutyl-3-(5-hexyl-1,3-benzothiazol-2-yl)-3-oxido-1-pentyl-4-imidazolidin-3-iumamine IUPAC Name: N,N-dibutyl-3-(5-hexyl-1,3-benzothiazol-2-yl)-3-oxido-1-pentylimidazolidin-3-ium-4-amine Traditional Name: [1-amyl-3-(5-hexyl-1,3-benzothiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl]-dibutyl-amine Formula: C29H50N4OS MolecularWeight: 502.7985

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC2=C(C=C1)SC(=N2)[N+]3(CN(CC3N(CCCC)CCCC)CCCCC)[O-]

Isomeric SMILES

CCCCCCC1=CC2=C(C=C1)SC(=N2)[N+]3(CN(CC3N(CCCC)CCCC)CCCCC)[O-]

InChI

InChI=1S/C29H50N4OS/c1-5-9-13-14-16-25-17-18-27-26(22-25)30-29(35-27)33(34)24-31(19-15-10-6-2)23-28(33)32(20-11-7-3)21-12-8-4/h17-18,22,28H,5-16,19-21,23-24H2,1-4H3