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

Systemtic Name: (2Z)-2-[(2,6-dimethyl-1-phenethyl-pyridin-1-ium-4-yl)methylidene]-3-methyl-1,3-benzothiazole Openeye Name: (2Z)-2-[(2,6-dimethyl-1-phenethyl-pyridin-1-ium-4-yl)methylene]-3-methyl-1,3-benzothiazole CAS Name: (2Z)-2-[(2,6-dimethyl-1-phenethyl-4-pyridin-1-iumyl)methylidene]-3-methyl-1,3-benzothiazole IUPAC Name: (2Z)-2-[(2,6-dimethyl-1-phenethylpyridin-1-ium-4-yl)methylidene]-3-methyl-1,3-benzothiazole Traditional Name: (2Z)-2-[(2,6-dimethyl-1-phenethyl-pyridin-1-ium-4-yl)methylene]-3-methyl-1,3-benzothiazole Formula: C24H25N2S+ MolecularWeight: 373.5337

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=[N+]1CCC2=CC=CC=C2)C)C=C3N(C4=CC=CC=C4S3)C

Isomeric SMILES

CC1=CC(=CC(=[N+]1CCC2=CC=CC=C2)C)/C=C\3/N(C4=CC=CC=C4S3)C

InChI

InChI=1S/C24H25N2S/c1-18-15-21(17-24-25(3)22-11-7-8-12-23(22)27-24)16-19(2)26(18)14-13-20-9-5-4-6-10-20/h4-12,15-17H,13-14H2,1-3H3/q+1