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

Systemtic Name: 2-[[2,6-dimethyl-1-(2-propylpentyl)pyridin-1-ium-4-yl]methylidene]-3-methyl-1,3-benzothiazole Openeye Name: 2-[[2,6-dimethyl-1-(2-propylpentyl)pyridin-1-ium-4-yl]methylene]-3-methyl-1,3-benzothiazole CAS Name: 2-[[2,6-dimethyl-1-(2-propylpentyl)-4-pyridin-1-iumyl]methylidene]-3-methyl-1,3-benzothiazole IUPAC Name: 2-[[2,6-dimethyl-1-(2-propylpentyl)pyridin-1-ium-4-yl]methylidene]-3-methyl-1,3-benzothiazole Traditional Name: 2-[[2,6-dimethyl-1-(2-propylpentyl)pyridin-1-ium-4-yl]methylene]-3-methyl-1,3-benzothiazole Formula: C24H33N2S+ MolecularWeight: 381.59722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33N2S/c1-6-10-20(11-7-2)17-26-18(3)14-21(15-19(26)4)16-24-25(5)22-12-8-9-13-23(22)27-24/h8-9,12-16,20H,6-7,10-11,17H2,1-5H3/q+1