3-phenoxy-N-[5-(phenylmethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl]benzamide

Systemtic Name: 3-phenoxy-N-[5-(phenylmethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl]benzamide Openeye Name: N-(5-benzyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-5-ium-2-yl)-3-phenoxy-benzamide CAS Name: 3-phenoxy-N-[5-(phenylmethyl)-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-5-ium-2-yl]benzamide IUPAC Name: N-(5-benzyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)-3-phenoxybenzamide Traditional Name: N-(5-benzyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-5-ium-2-yl)-3-phenoxy-benzamide Formula: C26H24N3O2S+ MolecularWeight: 442.55266

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=C1N=C(S2)NC(=O)C3=CC(=CC=C3)OC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CC2=C1N=C(S2)NC(=O)C3=CC(=CC=C3)OC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C26H23N3O2S/c30-25(20-10-7-13-22(16-20)31-21-11-5-2-6-12-21)28-26-27-23-14-15-29(18-24(23)32-26)17-19-8-3-1-4-9-19/h1-13,16H,14-15,17-18H2,(H,27,28,30)/p+1