1-(5-ethyl-1,3-benzothiazol-2-yl)-3-(4-ethynylheptan-4-yl)-1-oxidanidyl-imidazolidin-1-ium-2-ol

Systemtic Name: 1-(5-ethyl-1,3-benzothiazol-2-yl)-3-(4-ethynylheptan-4-yl)-1-oxidanidyl-imidazolidin-1-ium-2-ol Openeye Name: 1-(5-ethyl-1,3-benzothiazol-2-yl)-3-(1-ethynyl-1-propyl-butyl)-1-oxido-imidazolidin-1-ium-2-ol CAS Name: 1-(5-ethyl-1,3-benzothiazol-2-yl)-3-(4-ethynylheptan-4-yl)-1-oxido-2-imidazolidin-1-iumol IUPAC Name: 1-(5-ethyl-1,3-benzothiazol-2-yl)-3-(4-ethynylheptan-4-yl)-1-oxidoimidazolidin-1-ium-2-ol Traditional Name: 3-(1,1-dipropylprop-2-ynyl)-1-(5-ethyl-1,3-benzothiazol-2-yl)-1-oxido-imidazolidin-1-ium-2-ol Formula: C21H29N3O2S MolecularWeight: 387.53886

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)(C#C)N1CC[N+](C1O)(C2=NC3=C(S2)C=CC(=C3)CC)[O-]

Isomeric SMILES

CCCC(CCC)(C#C)N1CC[N+](C1O)(C2=NC3=C(S2)C=CC(=C3)CC)[O-]

InChI

InChI=1S/C21H29N3O2S/c1-5-11-21(8-4,12-6-2)23-13-14-24(26,20(23)25)19-22-17-15-16(7-3)9-10-18(17)27-19/h4,9-10,15,20,25H,5-7,11-14H2,1-3H3