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

Systemtic Name: (2Z)-2-[[1-(3-imidazol-1-ylpropyl)-2,6-dimethyl-pyridin-1-ium-4-yl]methylidene]-3-(phenylmethyl)-1,3-benzothiazole Openeye Name: (2Z)-3-benzyl-2-[[1-(3-imidazol-1-ylpropyl)-2,6-dimethyl-pyridin-1-ium-4-yl]methylene]-1,3-benzothiazole CAS Name: (2Z)-2-[[1-[3-(1-imidazolyl)propyl]-2,6-dimethyl-4-pyridin-1-iumyl]methylidene]-3-(phenylmethyl)-1,3-benzothiazole IUPAC Name: (2Z)-3-benzyl-2-[[1-(3-imidazol-1-ylpropyl)-2,6-dimethylpyridin-1-ium-4-yl]methylidene]-1,3-benzothiazole Traditional Name: (2Z)-3-benzyl-2-[[1-(3-imidazol-1-ylpropyl)-2,6-dimethyl-pyridin-1-ium-4-yl]methylene]-1,3-benzothiazole Formula: C28H29N4S+ MolecularWeight: 453.62166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=[N+]1CCCN2C=CN=C2)C)C=C3N(C4=CC=CC=C4S3)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=CC(=[N+]1CCCN2C=CN=C2)C)/C=C\3/N(C4=CC=CC=C4S3)CC5=CC=CC=C5

InChI

InChI=1S/C28H29N4S/c1-22-17-25(18-23(2)31(22)15-8-14-30-16-13-29-21-30)19-28-32(20-24-9-4-3-5-10-24)26-11-6-7-12-27(26)33-28/h3-7,9-13,16-19,21H,8,14-15,20H2,1-2H3/q+1