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

Systemtic Name: 2-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-N-heptadecyl-1-methyl-3-oxidanylidene-imidazolidin-3-ium-4-amine Openeye Name: 2-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-N-heptadecyl-1-methyl-3-oxo-imidazolidin-3-ium-4-amine CAS Name: 2-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-N-heptadecyl-1-methyl-3-oxo-4-imidazolidin-3-iumamine IUPAC Name: 2-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-N-heptadecyl-1-methyl-3-oxoimidazolidin-3-ium-4-amine Traditional Name: [2-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-keto-1-methyl-imidazolidin-3-ium-4-yl]-heptadecyl-amine Formula: C27H52N5OS+ MolecularWeight: 494.79968

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCNC1CN(C([N+]1=O)C2=NN=C(S2)C(C)(C)C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCNC1CN(C([N+]1=O)C2=NN=C(S2)C(C)(C)C)C

InChI

InChI=1S/C27H52N5OS/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-28-23-22-31(5)25(32(23)33)24-29-30-26(34-24)27(2,3)4/h23,25,28H,6-22H2,1-5H3/q+1