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

Systemtic Name: (2Z)-2-[(2,6-dimethyl-1-phenethyl-pyridin-1-ium-4-yl)methylidene]-3-(phenylmethyl)-1,3-benzothiazole Openeye Name: (2Z)-3-benzyl-2-[(2,6-dimethyl-1-phenethyl-pyridin-1-ium-4-yl)methylene]-1,3-benzothiazole CAS Name: (2Z)-2-[(2,6-dimethyl-1-phenethyl-4-pyridin-1-iumyl)methylidene]-3-(phenylmethyl)-1,3-benzothiazole IUPAC Name: (2Z)-3-benzyl-2-[(2,6-dimethyl-1-phenethylpyridin-1-ium-4-yl)methylidene]-1,3-benzothiazole Traditional Name: (2Z)-3-benzyl-2-[(2,6-dimethyl-1-phenethyl-pyridin-1-ium-4-yl)methylene]-1,3-benzothiazole Formula: C30H29N2S+ MolecularWeight: 449.62966

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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)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=CC(=[N+]1CCC2=CC=CC=C2)C)/C=C\3/N(C4=CC=CC=C4S3)CC5=CC=CC=C5

InChI

InChI=1S/C30H29N2S/c1-23-19-27(20-24(2)31(23)18-17-25-11-5-3-6-12-25)21-30-32(22-26-13-7-4-8-14-26)28-15-9-10-16-29(28)33-30/h3-16,19-21H,17-18,22H2,1-2H3/q+1