(2Z)-2-[[1-(2-ethylpentyl)-2,6-dimethyl-pyridin-1-ium-4-yl]methylidene]-3-methyl-1,3-benzothiazole

Systemtic Name: (2Z)-2-[[1-(2-ethylpentyl)-2,6-dimethyl-pyridin-1-ium-4-yl]methylidene]-3-methyl-1,3-benzothiazole Openeye Name: (2Z)-2-[[1-(2-ethylpentyl)-2,6-dimethyl-pyridin-1-ium-4-yl]methylene]-3-methyl-1,3-benzothiazole CAS Name: (2Z)-2-[[1-(2-ethylpentyl)-2,6-dimethyl-4-pyridin-1-iumyl]methylidene]-3-methyl-1,3-benzothiazole IUPAC Name: (2Z)-2-[[1-(2-ethylpentyl)-2,6-dimethylpyridin-1-ium-4-yl]methylidene]-3-methyl-1,3-benzothiazole Traditional Name: (2Z)-2-[[1-(2-ethylpentyl)-2,6-dimethyl-pyridin-1-ium-4-yl]methylene]-3-methyl-1,3-benzothiazole Formula: C23H31N2S+ MolecularWeight: 367.57064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC)C[N+]1=C(C=C(C=C1C)C=C2N(C3=CC=CC=C3S2)C)C

Isomeric SMILES

CCCC(CC)C[N+]1=C(C=C(C=C1C)/C=C\2/N(C3=CC=CC=C3S2)C)C

InChI

InChI=1S/C23H31N2S/c1-6-10-19(7-2)16-25-17(3)13-20(14-18(25)4)15-23-24(5)21-11-8-9-12-22(21)26-23/h8-9,11-15,19H,6-7,10,16H2,1-5H3/q+1