3-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-6-ethoxy-1,3-benzothiazole-2-thione

Systemtic Name: 3-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-6-ethoxy-1,3-benzothiazole-2-thione Openeye Name: 3-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-6-ethoxy-1,3-benzothiazole-2-thione CAS Name: 3-[[(2S,6S)-2,6-dimethyl-4-morpholin-4-iumyl]methyl]-6-ethoxy-1,3-benzothiazole-2-thione IUPAC Name: 3-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-6-ethoxy-1,3-benzothiazole-2-thione Traditional Name: 3-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-6-ethoxy-1,3-benzothiazole-2-thione Formula: C16H23N2O2S2+ MolecularWeight: 339.49602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=S)S2)C[NH+]3CC(OC(C3)C)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=S)S2)C[NH+]3C[C@@H](O[C@H](C3)C)C

InChI

InChI=1S/C16H22N2O2S2/c1-4-19-13-5-6-14-15(7-13)22-16(21)18(14)10-17-8-11(2)20-12(3)9-17/h5-7,11-12H,4,8-10H2,1-3H3/p+1/t11-,12-/m0/s1