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

Systemtic Name: (2Z)-2-[[2,6-dimethyl-1-(4-propan-2-ylphenyl)pyridin-1-ium-4-yl]methylidene]-3-(phenylmethyl)-1,3-benzothiazole Openeye Name: (2Z)-3-benzyl-2-[[1-(4-isopropylphenyl)-2,6-dimethyl-pyridin-1-ium-4-yl]methylene]-1,3-benzothiazole CAS Name: (2Z)-2-[[2,6-dimethyl-1-(4-propan-2-ylphenyl)-4-pyridin-1-iumyl]methylidene]-3-(phenylmethyl)-1,3-benzothiazole IUPAC Name: (2Z)-3-benzyl-2-[[2,6-dimethyl-1-(4-propan-2-ylphenyl)pyridin-1-ium-4-yl]methylidene]-1,3-benzothiazole Traditional Name: (2Z)-3-benzyl-2-[(2,6-dimethyl-1-p-cumenyl-pyridin-1-ium-4-yl)methylene]-1,3-benzothiazole Formula: C31H31N2S+ MolecularWeight: 463.65624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=[N+]1C2=CC=C(C=C2)C(C)C)C)C=C3N(C4=CC=CC=C4S3)CC5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C31H31N2S/c1-22(2)27-14-16-28(17-15-27)33-23(3)18-26(19-24(33)4)20-31-32(21-25-10-6-5-7-11-25)29-12-8-9-13-30(29)34-31/h5-20,22H,21H2,1-4H3/q+1