2-(3H-1,3-benzothiazol-2-ylidene)-3-(9-methyl-4-oxidanylidene-2-piperidin-1-yl-pyrido[1,2-a]pyrimidin-5-ium-3-ylidene)propanenitrile

Systemtic Name: 2-(3H-1,3-benzothiazol-2-ylidene)-3-(9-methyl-4-oxidanylidene-2-piperidin-1-yl-pyrido[1,2-a]pyrimidin-5-ium-3-ylidene)propanenitrile Openeye Name: 2-(3H-1,3-benzothiazol-2-ylidene)-3-[9-methyl-4-oxo-2-(1-piperidyl)pyrido[1,2-a]pyrimidin-5-ium-3-ylidene]propanenitrile CAS Name: 2-(3H-1,3-benzothiazol-2-ylidene)-3-[9-methyl-4-oxo-2-(1-piperidinyl)-3-pyrido[1,2-a]pyrimidin-5-iumylidene]propanenitrile IUPAC Name: 2-(3H-1,3-benzothiazol-2-ylidene)-3-(9-methyl-4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidin-5-ium-3-ylidene)propanenitrile Traditional Name: 2-(3H-1,3-benzothiazol-2-ylidene)-3-(4-keto-9-methyl-2-piperidino-pyrido[1,2-a]pyrimidin-5-ium-3-ylidene)propionitrile Formula: C24H22N5OS+ MolecularWeight: 428.52938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2N=C(C(=CC(=C3NC4=CC=CC=C4S3)C#N)C(=O)[N+]2=CC=C1)N5CCCCC5

Isomeric SMILES

CC1=C2N=C(C(=CC(=C3NC4=CC=CC=C4S3)C#N)C(=O)[N+]2=CC=C1)N5CCCCC5

InChI

InChI=1S/C24H21N5OS/c1-16-8-7-13-29-21(16)27-22(28-11-5-2-6-12-28)18(24(29)30)14-17(15-25)23-26-19-9-3-4-10-20(19)31-23/h3-4,7-10,13-14H,2,5-6,11-12H2,1H3/p+1