N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-4-ium-2-yl)phenyl]-4-phenyl-butanamide

Systemtic Name: N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-4-ium-2-yl)phenyl]-4-phenyl-butanamide Openeye Name: N-(2-methyl-3-thiazolo[5,4-b]pyridin-4-ium-2-yl-phenyl)-4-phenyl-butanamide CAS Name: N-[2-methyl-3-(2-thiazolo[5,4-b]pyridin-4-iumyl)phenyl]-4-phenylbutanamide IUPAC Name: N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-4-ium-2-yl)phenyl]-4-phenylbutanamide Traditional Name: N-(2-methyl-3-thiazolo[5,4-b]pyridin-4-ium-2-yl-phenyl)-4-phenyl-butyramide Formula: C23H22N3OS+ MolecularWeight: 388.50528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)CCCC2=CC=CC=C2)C3=NC4=C(S3)[NH+]=CC=C4

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)CCCC2=CC=CC=C2)C3=NC4=C(S3)[NH+]=CC=C4

InChI

InChI=1S/C23H21N3OS/c1-16-18(22-26-20-13-7-15-24-23(20)28-22)11-6-12-19(16)25-21(27)14-5-10-17-8-3-2-4-9-17/h2-4,6-9,11-13,15H,5,10,14H2,1H3,(H,25,27)/p+1