3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-N-octadecyl-3-oxidanidyl-imidazolidin-3-ium-4-amine

Systemtic Name: 3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-N-octadecyl-3-oxidanidyl-imidazolidin-3-ium-4-amine Openeye Name: 3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-N-octadecyl-3-oxido-imidazolidin-3-ium-4-amine CAS Name: 3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-N-octadecyl-3-oxido-4-imidazolidin-3-iumamine IUPAC Name: 3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-N-octadecyl-3-oxidoimidazolidin-3-ium-4-amine Traditional Name: [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl]-stearyl-amine Formula: C28H55N5OS MolecularWeight: 509.8342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC1CN(C[N+]1(C2=NN=C(S2)C(C)(C)C)[O-])C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC1CN(C[N+]1(C2=NN=C(S2)C(C)(C)C)[O-])C

InChI

InChI=1S/C28H55N5OS/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-29-25-23-32(5)24-33(25,34)27-31-30-26(35-27)28(2,3)4/h25,29H,6-24H2,1-5H3