2-[[2,6-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyridin-1-ium-4-yl]methylidene]-3-ethyl-1,3-benzothiazole

Systemtic Name: 2-[[2,6-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyridin-1-ium-4-yl]methylidene]-3-ethyl-1,3-benzothiazole Openeye Name: 2-[[2,6-dimethyl-1-[[(2R)-tetrahydrofuran-2-yl]methyl]pyridin-1-ium-4-yl]methylene]-3-ethyl-1,3-benzothiazole CAS Name: 2-[[2,6-dimethyl-1-[[(2R)-2-oxolanyl]methyl]-4-pyridin-1-iumyl]methylidene]-3-ethyl-1,3-benzothiazole IUPAC Name: 2-[[2,6-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyridin-1-ium-4-yl]methylidene]-3-ethyl-1,3-benzothiazole Traditional Name: 2-[[2,6-dimethyl-1-[[(2R)-tetrahydrofuran-2-yl]methyl]pyridin-1-ium-4-yl]methylene]-3-ethyl-1,3-benzothiazole Formula: C22H27N2OS+ MolecularWeight: 367.52758

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2SC1=CC3=CC(=[N+](C(=C3)C)CC4CCCO4)C

Isomeric SMILES

CCN1C2=CC=CC=C2SC1=CC3=CC(=[N+](C(=C3)C)C[C@H]4CCCO4)C

InChI

InChI=1S/C22H27N2OS/c1-4-23-20-9-5-6-10-21(20)26-22(23)14-18-12-16(2)24(17(3)13-18)15-19-8-7-11-25-19/h5-6,9-10,12-14,19H,4,7-8,11,15H2,1-3H3/q+1/t19-/m1/s1