3-(5,6-diethyl-1,3-benzothiazol-2-yl)-1-hexyl-3-oxidanidyl-imidazolidin-3-ium-4-ol

Systemtic Name: 3-(5,6-diethyl-1,3-benzothiazol-2-yl)-1-hexyl-3-oxidanidyl-imidazolidin-3-ium-4-ol Openeye Name: 3-(5,6-diethyl-1,3-benzothiazol-2-yl)-1-hexyl-3-oxido-imidazolidin-3-ium-4-ol CAS Name: 3-(5,6-diethyl-1,3-benzothiazol-2-yl)-1-hexyl-3-oxido-4-imidazolidin-3-iumol IUPAC Name: 3-(5,6-diethyl-1,3-benzothiazol-2-yl)-1-hexyl-3-oxidoimidazolidin-3-ium-4-ol Traditional Name: 3-(5,6-diethyl-1,3-benzothiazol-2-yl)-1-hexyl-3-oxido-imidazolidin-3-ium-4-ol Formula: C20H31N3O2S MolecularWeight: 377.54404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O2S/c1-4-7-8-9-10-22-13-19(24)23(25,14-22)20-21-17-11-15(5-2)16(6-3)12-18(17)26-20/h11-12,19,24H,4-10,13-14H2,1-3H3