2-cyano-3-(4-dimethylaminophenyl)-N-[5-(phenylmethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl]prop-2-enamide

Systemtic Name: 2-cyano-3-(4-dimethylaminophenyl)-N-[5-(phenylmethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl]prop-2-enamide Openeye Name: N-(5-benzyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-5-ium-2-yl)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enamide CAS Name: 2-cyano-3-(4-dimethylaminophenyl)-N-[5-(phenylmethyl)-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-5-ium-2-yl]-2-propenamide IUPAC Name: N-(5-benzyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enamide Traditional Name: N-(5-benzyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-5-ium-2-yl)-2-cyano-3-(4-dimethylaminophenyl)acrylamide Formula: C25H26N5OS+ MolecularWeight: 444.57184

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C=C(C#N)C(=O)NC2=NC3=C(S2)C[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C=C(C#N)C(=O)NC2=NC3=C(S2)C[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H25N5OS/c1-29(2)21-10-8-18(9-11-21)14-20(15-26)24(31)28-25-27-22-12-13-30(17-23(22)32-25)16-19-6-4-3-5-7-19/h3-11,14H,12-13,16-17H2,1-2H3,(H,27,28,31)/p+1