3-methyl-2-[(4-methylpyrido[1,2-a]pyrimidin-5-ium-2-yl)methylidene]-1,3-benzothiazole

Systemtic Name: 3-methyl-2-[(4-methylpyrido[1,2-a]pyrimidin-5-ium-2-yl)methylidene]-1,3-benzothiazole Openeye Name: 3-methyl-2-[(4-methylpyrido[1,2-a]pyrimidin-5-ium-2-yl)methylene]-1,3-benzothiazole CAS Name: 3-methyl-2-[(4-methyl-2-pyrido[1,2-a]pyrimidin-5-iumyl)methylidene]-1,3-benzothiazole IUPAC Name: 3-methyl-2-[(4-methylpyrido[1,2-a]pyrimidin-5-ium-2-yl)methylidene]-1,3-benzothiazole Traditional Name: 3-methyl-2-[(4-methylpyrido[1,2-a]pyrimidin-5-ium-2-yl)methylene]-1,3-benzothiazole Formula: C18H16N3S+ MolecularWeight: 306.40474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=[N+]12)C=C3N(C4=CC=CC=C4S3)C

Isomeric SMILES

CC1=CC(=NC2=CC=CC=[N+]12)C=C3N(C4=CC=CC=C4S3)C

InChI

InChI=1S/C18H16N3S/c1-13-11-14(19-17-9-5-6-10-21(13)17)12-18-20(2)15-7-3-4-8-16(15)22-18/h3-12H,1-2H3/q+1